%chk=000155749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155749

0 1
 S   -3.844700      -2.173500      4.9699999E-02
 O   -4.626500      -2.443500      -1.201100    
 N   -1.263600       1.849200      6.3999998E-03
 N    4.327600     -0.3291000     -0.6494000    
 C  -0.2320000     -0.4026000      0.3472000    
 C   2.6699999E-02   1.152500      0.1841000    
 C   -1.056600     -0.9464000     -0.8297000    
 C   -2.340400     -0.1366000      -1.052400    
 C   -2.024700       1.365000      -1.150600    
 C    1.126700       1.521800     -0.8880000    
 C    1.070900      -1.163600      0.4763000    
 C    2.335200      0.6635000     -0.7156000    
 C    2.220000     -0.5831000     -6.9600001E-02
 C   -1.132700       3.302900     -2.1600001E-02
 C   -3.383600     -0.4224000      3.3799998E-02
 C    3.457000      -1.196800     -2.6400000E-02
 C    1.218600      -2.422100       1.068200    
 C    3.656400      0.8017000      -1.071900    
 C  -0.3686000       3.789900       1.207000    
 C    3.623900      -2.448900      0.5666000    
 C    2.474100      -3.047300       1.112100    
 C  -0.2369000       5.305100       1.212800    
 C   -5.026700      -2.035700       1.412200    
 H  -0.7891000     -0.5514000       1.282000    
 H   0.4420000       1.420900       1.164800    
 H  -0.4559000     -0.8828000      -1.748500    
 H   -1.251500      -2.016000     -0.7006000    
 H   -2.763700     -0.4461000      -2.018000    
 H   -1.484900       1.563800      -2.084700    
 H   -2.974300       1.910900      -1.224300    
 H    1.419900       2.573100     -0.7992000    
 H   0.7427000       1.371000      -1.903000    
 H  -0.6392000       3.648100     -0.9385000    
 H   -2.131900       3.756600     -1.0100000E-02
 H   -4.291600      0.1604000     -0.1569000    
 H   -3.018400     -0.1560000       1.030100    
 H   0.3571000      -2.925700       1.499100    
 H    4.188100       1.591500      -1.583500    
 H  -0.8781000       3.470400       2.124200    
 H   0.6562000       3.411100       1.247400    
 H    5.316000     -0.4941000     -0.7798000    
 H    4.588900      -2.941100      0.6060000    
 H    2.561500      -4.025200       1.580700    
 H   0.3077000       5.655500      0.3302000    
 H   -1.221200       5.784100       1.222200    
 H   0.3087000       5.636200       2.102200    
 H   -4.503800      -1.721900       2.318700    
 H   -5.480800      -3.015300       1.578800    
 H   -5.806500      -1.313600       1.159100    


%chk=000155749-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155749

0 1
S -4.016660 -2.213835 0.162895
O -4.571500 -2.273766 -1.422657
N -1.129378 1.808862 0.029003
N 4.485216 -0.413572 -0.859008
C -0.078564 -0.418808 0.377034
C 0.184604 1.110956 0.139923
C -0.991556 -1.008067 -0.736318
C -2.310436 -0.206530 -0.883989
C -1.981214 1.293669 -1.071921
C 1.177490 1.416756 -1.049681
C 1.226964 -1.196656 0.495180
C 2.428763 0.589465 -0.888764
C 2.353562 -0.643275 -0.150512
C -1.068106 3.292744 0.042339
C -3.272591 -0.406470 0.293437
C 3.638083 -1.264681 -0.135325
C 1.418142 -2.419232 1.168711
C 3.751130 0.710486 -1.310646
C -0.385707 3.884054 1.293537
C 3.829877 -2.496500 0.533662
C 2.700800 -3.053072 1.178571
C -0.546565 5.418672 1.356623
C -5.598409 -1.846351 1.197253
H -0.624675 -0.488427 1.339091
H 0.675051 1.481901 1.059590
H -0.450098 -0.993161 -1.701858
H -1.198057 -2.074085 -0.520986
H -2.848950 -0.557143 -1.790451
H -1.510002 1.425980 -2.078671
H -2.916301 1.886080 -1.083164
H 1.404377 2.499747 -1.063683
H 0.684833 1.187253 -2.015870
H -0.569717 3.709930 -0.871122
H -2.115027 3.656430 0.014438
H -4.148137 0.262053 0.225139
H -2.807489 -0.336267 1.289065
H 0.583530 -2.897077 1.696309
H 4.238890 1.490135 -1.893470
H -0.830509 3.415792 2.193038
H 0.692939 3.633780 1.300491
H 5.475819 -0.567844 -1.031523
H 4.799125 -3.006201 0.564026
H 2.814203 -4.005192 1.709921
H -0.121538 5.902647 0.456626
H -1.613053 5.706155 1.420080
H -0.030687 5.838175 2.239070
H -5.311537 -1.497113 2.201722
H -6.160539 -2.790042 1.246028
H -6.158394 -1.083958 0.635320


