%chk=000028693.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028693

0 1
 O    4.024100      0.7490000     -0.2138000    
 O    3.283600       2.728100      0.6861000    
 N   -2.374300       2.989000      0.4312000    
 N   -5.836200      -1.933000      0.2022000    
 N    2.142800       1.680700      -1.044000    
 C   -1.882800      0.5340000      0.1783000    
 C   -2.970900       1.687300      4.1600000E-02
 C  -0.6470000      0.8714000     -0.6667000    
 C  -0.1096000       2.258400     -0.3073000    
 C   -4.286100       1.364700      0.8505000    
 C   -1.215300       3.313700     -0.4193000    
 C   -2.480300     -0.8245000     -0.1492000    
 C   -3.852200     -0.9827000      8.3999999E-02
 C   -4.764100     -1.4400000E-02  0.5484000    
 C    1.076800       2.622300      -1.199600    
 C   -4.520600      -2.173400     -0.1298000    
 C   -3.333000       4.096300      0.3704000    
 C   -1.796400      -1.965400     -0.5894000    
 C   -5.993600     -0.6265000      0.6179000    
 C   -3.853400      -3.307700     -0.5897000    
 C   -2.473400      -3.175700     -0.8110000    
 C   -6.909300      -2.901200      0.1328000    
 C    3.163600       1.805800     -0.1138000    
 C    5.130000      0.7559000      0.6960000    
 C    5.969900     -0.4640000      0.4552000    
 C    5.695800      -1.636700       1.150100    
 C    7.014500     -0.4108000     -0.4611000    
 C    6.476400      -2.770700      0.9261000    
 C    7.795100      -1.545000     -0.6850000    
 C    7.525900      -2.725000      8.6000003E-03
 H   -1.573400      0.4866000       1.233200    
 H   -3.262900       1.738000      -1.020000    
 H   0.1323000      0.1207000     -0.4930000    
 H  -0.9003000      0.8273000      -1.734500    
 H   0.2355000       2.230400      0.7365000    
 H   -5.080100       2.073300      0.5898000    
 H   -4.092200       1.449200       1.926900    
 H  -0.7939000       4.277600     -0.1051000    
 H   -1.526400       3.425900      -1.467000    
 H    1.447900       3.622700     -0.9495000    
 H   0.7899000       2.623900      -2.257000    
 H   -2.839700       5.050200      0.5917000    
 H   -4.111900       3.990300       1.131700    
 H   -3.806400       4.178000     -0.6145000    
 H  -0.7247000      -1.936600     -0.7646000    
 H   -6.961200     -0.2500000      0.9217000    
 H   -4.363100      -4.248700     -0.7616000    
 H   -1.910700      -4.039400      -1.159100    
 H    2.157800      0.8679000      -1.652800    
 H   -7.845400      -2.435700      0.4514000    
 H   -6.998100      -3.243000     -0.9015000    
 H   -6.664400      -3.734300      0.7965000    
 H    4.759300      0.7633000       1.728700    
 H    5.727600       1.663600      0.5451000    
 H    4.879300      -1.684100       1.865400    
 H    7.231500      0.5024000      -1.008400    
 H    6.266500      -3.689700       1.465600    
 H    8.612000      -1.509700      -1.399800    
 H    8.133400      -3.608100     -0.1660000    


%chk=000028693-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028693

0 1
O 3.901780 -0.782552 0.643072
O 3.544175 1.554366 0.785024
N -2.038290 2.717650 -0.182816
N -6.669314 -1.208172 0.234858
N 2.277302 0.169869 -0.628905
C -2.175383 0.256504 0.216084
C -2.919960 1.522566 -0.351929
C -0.804435 0.075892 -0.473218
C 0.054601 1.350762 -0.363717
C -4.308119 1.758888 0.326481
C -0.745003 2.555658 -0.893602
C -3.053689 -0.993902 0.128691
C -4.445228 -0.771005 0.190871
C -5.123009 0.490260 0.284873
C 1.392230 1.228590 -1.135047
C -5.409885 -1.821013 0.160267
C -2.674028 3.999273 -0.562288
C -2.638972 -2.338057 0.029386
C -6.484869 0.196797 0.306623
C -4.993272 -3.170476 0.069806
C -3.599642 -3.399345 0.003788
C -7.953192 -1.908473 0.240312
C 3.255801 0.426523 0.301269
C 5.069959 -0.641161 1.574536
C 6.367220 -0.437899 0.820231
C 7.188490 -1.545214 0.488756
C 6.776232 0.865900 0.435107
C 8.396725 -1.358065 -0.219619
C 7.983063 1.054036 -0.273854
C 8.796390 -0.056457 -0.602525
H -1.988689 0.479472 1.289783
H -3.110012 1.330664 -1.444414
H -0.267788 -0.776887 -0.015128
H -0.967772 -0.174963 -1.543592
H 0.284642 1.542449 0.702840
H -4.843154 2.581072 -0.181386
H -4.123481 2.086103 1.370887
H -0.157964 3.482375 -0.747510
H -0.902910 2.432402 -2.000964
H 1.949431 2.179920 -1.061898
H 1.189662 1.030324 -2.206134
H -1.929850 4.808512 -0.456549
H -3.514771 4.236228 0.109168
H -3.051002 4.014254 -1.616875
H -1.575427 -2.594905 -0.026027
H -7.350198 0.855823 0.365348
H -5.699633 -4.007334 0.049467
H -3.238267 -4.431992 -0.067905
H 2.154718 -0.796843 -0.929907
H -8.772607 -1.172357 0.267117
H -8.072102 -2.526367 -0.669455
H -8.047394 -2.565655 1.125437
H 5.062994 -1.593317 2.128447
H 4.858097 0.203073 2.253383
H 6.878771 -2.555266 0.784957
H 6.134782 1.718797 0.684186
H 9.024983 -2.220631 -0.469037
H 8.291203 2.063938 -0.567145
H 9.734259 0.091266 -1.150107


