%chk=000104185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104185

0 1
 O    1.070000      -1.207200      0.1337000    
 N   -3.032900     -0.3481000     -1.9500000E-02
 N    5.633800      0.2481000      0.3121000    
 N   -2.792600       1.882100     -1.6000000E-03
 N   -3.576500      -2.616900     -4.7800001E-02
 N  -0.3419000      -4.416600      6.6900000E-02
 C  -0.7667000      0.4293000      7.0299998E-02
 C   -2.155900      0.7298000      1.8400000E-02
 C  -0.3023000     -0.9521000      8.2500003E-02
 C    1.532200       1.172200      0.1600000    
 C   -4.315400      0.1920000     -6.7400001E-02
 C    1.956200     -0.1575000      0.1712000    
 C   0.1027000       1.453200      0.1071000    
 C    4.258400      0.5563000      0.2611000    
 C   -2.661600      -1.707600     -9.9999998E-03
 C   -4.122800       1.572600     -5.4600000E-02
 C   -1.182700      -1.970100      4.5100000E-02
 C    3.315300     -0.4697000      0.2215000    
 C    2.482000       2.197600      0.1995000    
 C    3.842600       1.887800      0.2500000    
 C    6.622200       1.307400      0.3533000    
 C    6.076200      -1.131900      0.3381000    
 C   -5.602200     -0.3659000     -0.1202000    
 C   -5.230600       2.438000     -9.4999999E-02
 C   -6.694600      0.5083000     -0.1596000    
 C   -6.514200       1.888800     -0.1474000    
 C    6.862500       1.837400      -1.045900    
 C    6.257500      -1.637600      -1.078800    
 C  -0.7188000      -3.319500      5.7000000E-02
 H  -0.2094000       2.493000      9.9100001E-02
 H    3.576000      -1.522100      0.2080000    
 H    2.175300       3.240700      0.1918000    
 H    4.524200       2.730600      0.2797000    
 H    6.356000       2.106300       1.054300    
 H    7.576100      0.9210000      0.7345000    
 H    7.048600      -1.199300      0.8435000    
 H    5.433500      -1.789900      0.9317000    
 H   -5.772500      -1.435900     -0.1310000    
 H   -5.095400       3.515200     -8.5699998E-02
 H   -7.701500      0.1003000     -0.2006000    
 H   -7.378800       2.546300     -0.1789000    
 H    7.301500       1.076200      -1.696400    
 H    5.951600       2.197100      -1.532400    
 H    7.568600       2.673700      -1.007600    
 H    5.349100      -1.524000      -1.678500    
 H    7.068700      -1.115800      -1.593600    
 H    6.517400      -2.701300      -1.063300    
 H   -3.175100      -3.558500     -3.5799999E-02


%chk=000104185-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104185

0 1
O 1.044521 -1.089063 0.115267
N -3.087388 -0.369890 -0.030367
N 5.688530 0.250144 0.346115
N -2.875839 1.926792 0.025199
N -3.587142 -2.664096 -0.098520
N -0.313494 -4.385609 -0.005880
C -0.784157 0.552050 0.078523
C -2.217200 0.754480 0.027212
C -0.326690 -0.818193 0.068077
C 1.540530 1.325613 0.180637
C -4.403152 0.146241 -0.072156
C 1.981983 -0.035793 0.171527
C 0.136928 1.598730 0.133354
C 4.342624 0.592124 0.268669
C -2.664170 -1.730525 -0.042102
C -4.241435 1.575415 -0.036266
C -1.192572 -1.912895 0.012112
C 3.323760 -0.413423 0.207987
C 2.566599 2.316448 0.229637
C 3.918283 1.973457 0.266739
C 6.746553 1.288693 0.319268
C 6.115318 -1.169936 0.352597
C -5.670856 -0.466673 -0.135852
C -5.374288 2.420312 -0.064166
C -6.788008 0.396108 -0.162971
C -6.645074 1.814715 -0.127712
C 7.034670 1.870243 -1.085276
C 6.180605 -1.823339 -1.048324
C -0.695683 -3.249663 0.003425
H -0.237708 2.627121 0.138820
H 3.552112 -1.480049 0.183161
H 2.276599 3.373152 0.235482
H 4.659654 2.774549 0.299462
H 6.479425 2.101673 1.020768
H 7.666780 0.827903 0.719734
H 7.112718 -1.212627 0.825773
H 5.437944 -1.746179 1.009785
H -5.757888 -1.553547 -0.161818
H -5.251059 3.506934 -0.036896
H -7.792978 -0.037541 -0.212547
H -7.542502 2.442791 -0.150799
H 7.391239 1.085590 -1.774655
H 6.131481 2.325204 -1.527224
H 7.815436 2.650075 -1.018798
H 5.206413 -1.769814 -1.563836
H 6.932001 -1.325949 -1.685968
H 6.460809 -2.888478 -0.955855
H -3.180430 -3.619476 -0.102540


