%chk=000128065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128065

0 1
 O    5.551400      0.9702000     -0.3199000    
 O   -4.372400       2.239300      -1.423700    
 O   -2.458600       1.373600      -2.282700    
 O   -3.752500      -1.830900       1.229900    
 N    2.096600       1.589700      0.8629000    
 N   -2.594800     -0.5934000     -0.3586000    
 N    3.377200      -2.370400      -2.087100    
 N    1.245900      -2.557700       1.542900    
 C  -0.9056000       1.745200      0.5216000    
 C   -2.357500       1.490100      0.9456000    
 C  -9.2299998E-02   2.505200       1.574800    
 C   -3.184000      0.6862000     -5.9599999E-02
 C    1.337900       2.807500       1.121000    
 C    3.449000       1.903400      0.4235000    
 C    4.240200      0.6262000      0.1246000    
 C    3.555000     -0.1874000     -0.9822000    
 C   -3.278400       1.434100      -1.375400    
 C    4.038600      -1.639700      -1.011500    
 C   -2.932100      -1.759000      0.3190000    
 C   -2.136100      -2.952400     -0.1830000    
 C  -0.6239000      -2.795300     -2.4400000E-02
 C  -0.2038000      -2.684400       1.442400    
 H  -0.8878000       2.323800     -0.4088000    
 H  -0.4168000      0.7868000      0.3124000    
 H   -2.847300       2.455300       1.126400    
 H   -2.351000      0.9549000       1.903800    
 H  -0.5944000       3.453400       1.802800    
 H  -7.0299998E-02   1.927400       2.507300    
 H   -4.195400      0.5208000      0.3289000    
 H    1.297700       3.425800      0.2159000    
 H    1.830800       3.398100       1.902800    
 H    3.984200       2.479800       1.188900    
 H    3.428400       2.530300     -0.4775000    
 H    4.336600      3.5000000E-02   1.043500    
 H    2.128500       1.016000       1.705000    
 H    3.752200      0.2790000      -1.956600    
 H    2.467500     -0.2053000     -0.8457000    
 H   -1.913000     -0.6393000      -1.110400    
 H    5.119800      -1.680100      -1.176900    
 H    3.830200      -2.130400     -5.5100001E-02
 H   -2.381000      -3.098600      -1.241900    
 H   -2.481500      -3.844300      0.3526000    
 H  -0.1382000      -3.670300     -0.4752000    
 H  -0.2640000      -1.921400     -0.5802000    
 H    6.067600      0.1496000     -0.3879000    
 H  -0.5247000      -3.574200       1.994200    
 H  -0.6689000      -1.812100       1.913600    
 H    2.370000      -2.373800      -1.930400    
 H    3.672400      -3.345600      -2.063800    
 H   -4.420100       2.740300      -2.265700    
 H    1.549400      -1.710700       1.063900    
 H    1.507600      -2.440700       2.520900    


%chk=000128065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128065

0 1
O 5.527389 0.534848 0.251059
O -4.376415 2.673892 -0.995358
O -3.211067 1.339752 -2.495970
O -3.279264 -1.762727 1.327036
N 2.031318 1.418850 1.098812
N -2.762435 -0.582610 -0.601158
N 3.155158 -2.722754 -0.912883
N 1.433031 -1.826329 1.407030
C -1.078187 1.740278 0.454857
C -2.498994 1.393294 0.945910
C -0.229848 2.443572 1.537444
C -3.376856 0.659485 -0.123363
C 1.233141 2.680079 1.104389
C 3.406203 1.598422 0.548384
C 4.074078 0.251203 0.209427
C 3.658215 -0.295846 -1.173377
C -3.627971 1.548563 -1.332984
C 4.112987 -1.749648 -1.453055
C -2.709043 -1.717394 0.190032
C -1.847914 -2.850220 -0.373882
C -0.333816 -2.532856 -0.201916
C 0.091757 -2.462036 1.282222
H -1.132203 2.400038 -0.436328
H -0.553673 0.820423 0.135012
H -3.037838 2.307285 1.259857
H -2.448273 0.718886 1.820571
H -0.686122 3.423416 1.785064
H -0.247711 1.848877 2.475314
H -4.346903 0.423244 0.354977
H 1.246694 3.086503 0.074259
H 1.695107 3.456658 1.760827
H 4.080475 2.148515 1.242243
H 3.328543 2.202127 -0.375412
H 3.829860 -0.496896 0.996243
H 2.091520 1.059187 2.066073
H 4.092232 0.383919 -1.933469
H 2.556841 -0.250085 -1.275221
H -2.351140 -0.567887 -1.538991
H 4.204062 -1.885757 -2.550235
H 5.160847 -1.875798 -1.053137
H -2.069138 -3.010093 -1.446877
H -2.112038 -3.773367 0.170259
H 0.280345 -3.284583 -0.728383
H -0.103689 -1.563889 -0.689482
H 6.001761 -0.236513 -0.155049
H 0.151436 -3.487162 1.695061
H -0.691246 -1.930150 1.866330
H 2.653301 -2.457113 -0.040679
H 3.471338 -3.695875 -0.931552
H -4.510755 3.239325 -1.803590
H 1.419958 -0.832105 1.116852
H 1.823243 -1.921348 2.353709


