%chk=000157214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157214

0 1
 O    1.997100      -2.437100      -1.301100    
 O   0.6799000     -0.6570000      -1.910200    
 O    2.191200       2.626900       1.366000    
 N  -0.2273000      -2.665600      -1.188800    
 N    5.271800      -3.024500     -0.5990000    
 C   -1.629300      -2.308100      -1.295000    
 C   -2.143200      -1.685400     -3.3500001E-02
 C   -3.117000     -0.6734000     -4.5800000E-02
 C   -3.561100     -0.1258000       1.181300    
 C   -2.447600      -3.526500      -1.739400    
 C   -1.614800      -2.150500       1.171100    
 C   -3.659900     -0.1931000      -1.248700    
 C   -3.018600     -0.6062000       2.384400    
 C   -2.051800      -1.612100       2.377800    
 C   -4.534900      0.8861000       1.169300    
 C   -4.626400      0.8129000      -1.241900    
 C   -5.063200       1.351600     -3.5200000E-02
 C   0.8010000      -1.808700      -1.505700    
 C    3.091900      -1.591000     -0.9316000    
 C    2.725800     -0.8208000      0.3158000    
 C    2.628200      0.5596000      0.2561000    
 C    2.495300      -1.510600       1.494600    
 C    2.290600       1.270200       1.407900    
 C    2.157700     -0.8001000       2.646300    
 C    2.055200      0.5904000       2.602900    
 C    4.309600      -2.392000     -0.7438000    
 C    1.509600       3.189900      0.3001000    
 C   0.2996000       2.644900     -8.9400001E-02
 C    2.057000       4.282200     -0.3481000    
 C  -0.3865000       3.211400      -1.163800    
 C    1.371000       4.848900      -1.422300    
 C   0.1492000       4.313300      -1.830200    
 H   -1.650200      -1.580800      -2.111400    
 H   -3.500100      -3.265600      -1.892000    
 H   -2.057700      -3.933400      -2.678800    
 H   -2.406600      -4.326800     -0.9914000    
 H  -0.8759000      -2.945800       1.211500    
 H   1.5500000E-02  -3.585700     -0.8327000    
 H   -3.380400     -0.5811000      -2.222500    
 H   -3.345800     -0.2002000       3.339400    
 H   -1.643000      -1.977000       3.315600    
 H   -4.891200       1.321500       2.100600    
 H   -5.041700       1.173300      -2.178700    
 H   -5.816400       2.134100     -3.0600000E-02
 H    3.279400     -0.9056000      -1.769100    
 H    2.838800       1.076600     -0.6763000    
 H    2.562800      -2.593700       1.542500    
 H    1.971100      -1.329600       3.576100    
 H    1.790200       1.138400       3.502900    
 H  -0.1501000       1.801500      0.4268000    
 H    3.008200       4.699700     -3.2099999E-02
 H   -1.340100       2.797000      -1.478000    
 H    1.788100       5.707000      -1.941200    
 H  -0.3855000       4.755100      -2.666000    


%chk=000157214-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157214

0 1
O 1.814447 -2.661154 -0.731671
O 0.619957 -0.956544 -1.867407
O 2.718363 2.405420 1.608591
N -0.451804 -2.797046 -0.873491
N 4.934302 -3.653921 -1.642787
C -1.829493 -2.391504 -1.211014
C -2.407936 -1.358483 -0.226845
C -3.512558 -0.514642 -0.628656
C -4.069796 0.419624 0.333918
C -2.711973 -3.662930 -1.277310
C -1.901617 -1.252699 1.073064
C -4.087453 -0.546964 -1.945978
C -3.519388 0.487928 1.656228
C -2.452621 -0.333249 2.018241
C -5.162444 1.264773 -0.053671
C -5.149806 0.290142 -2.294926
C -5.697180 1.204044 -1.341153
C 0.631260 -2.034733 -1.220853
C 3.069792 -1.867884 -0.982977
C 3.414955 -1.027550 0.239799
C 2.884341 0.284215 0.310981
C 4.203736 -1.544316 1.294903
C 3.138975 1.067385 1.459174
C 4.458371 -0.740741 2.428783
C 3.927348 0.561864 2.519838
C 4.098028 -2.860411 -1.340095
C 1.619076 2.934034 0.872307
C 0.399502 2.236840 0.718739
C 1.775474 4.252648 0.394975
C -0.672125 2.874500 0.054734
C 0.692638 4.880589 -0.259380
C -0.531450 4.193430 -0.436499
H -1.778388 -1.929724 -2.214324
H -3.751121 -3.398736 -1.532693
H -2.330215 -4.366314 -2.038699
H -2.734533 -4.173552 -0.296266
H -1.053097 -1.877746 1.372258
H -0.284490 -3.666941 -0.365665
H -3.686280 -1.229209 -2.702151
H -3.947196 1.197817 2.373807
H -2.029313 -0.278584 3.026970
H -5.572519 1.963923 0.685024
H -5.566299 0.251070 -3.307411
H -6.531539 1.853827 -1.626419
H 2.865900 -1.211250 -1.851909
H 2.281427 0.675046 -0.515029
H 4.619059 -2.555502 1.227719
H 5.073789 -1.129528 3.246791
H 4.115702 1.200401 3.387975
H 0.278024 1.221168 1.107532
H 2.731926 4.762731 0.543593
H -1.616155 2.334000 -0.071340
H 0.808897 5.903737 -0.633398
H -1.366995 4.679403 -0.951223


