%chk=000221217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221217

0 1
S 1.816671 0.589725 -0.483887
O 2.191301 -0.624078 -1.200201
O 2.245537 1.868588 -1.028135
N 2.445261 0.545472 1.126783
N -4.031346 0.564454 0.322292
C -2.004435 -0.586625 -0.431334
C -2.809063 -1.788077 -0.839375
C -4.105796 -1.895779 -0.026275
C -2.660791 0.553675 0.132363
C -4.886595 -0.575519 -0.087190
C 0.121103 0.576319 -0.232016
C -0.628653 -0.552157 -0.604226
C -1.900258 1.690781 0.509439
C -0.524661 1.690224 0.316244
C 3.792810 1.148658 1.305075
C 2.165108 -0.673882 1.927837
C 4.938475 0.397657 0.626833
C 2.814642 -1.960992 1.421472
H -3.041936 -1.719203 -1.923531
H -2.214265 -2.715983 -0.717247
H -4.733208 -2.722772 -0.407254
H -3.866725 -2.147938 1.026465
H -5.257923 -0.398438 -1.124374
H -5.775337 -0.615721 0.580119
H -0.111157 -1.415368 -1.043731
H -4.485360 1.362010 0.745820
H -2.387822 2.560761 0.936707
H 0.056882 2.575914 0.595444
H 3.738714 2.191957 0.903165
H 3.992881 1.239368 2.396109
H 2.488504 -0.480031 2.976786
H 1.056935 -0.797852 1.967622
H 5.009645 -0.642100 0.977504
H 4.813628 0.356359 -0.464616
H 5.898863 0.885735 0.821336
H 2.554529 -2.166789 0.368343
H 3.912384 -1.897200 1.452241
H 2.508956 -2.825254 2.016396


%chk=000221217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221217

0 1
S 1.872319 0.461541 -0.522324
O 2.192121 -0.936841 -1.321522
O 2.358126 1.882861 -1.159376
N 2.540566 0.496897 1.226439
N -4.122025 0.566800 0.347630
C -2.129555 -0.599939 -0.477333
C -2.999900 -1.754264 -0.956976
C -4.302639 -1.853950 -0.129599
C -2.744759 0.534485 0.152197
C -5.029672 -0.492316 -0.123415
C 0.031701 0.483112 -0.203076
C -0.731478 -0.613208 -0.640874
C -1.936487 1.632239 0.582269
C -0.544662 1.617271 0.398475
C 3.877072 1.153634 1.303817
C 2.267071 -0.757208 1.977858
C 5.041679 0.559259 0.474887
C 3.147617 -2.002292 1.710427
H -3.261368 -1.607254 -2.025275
H -2.434837 -2.702460 -0.902777
H -4.973993 -2.621745 -0.554805
H -4.067998 -2.147495 0.910605
H -5.401088 -0.268993 -1.147275
H -5.908707 -0.527919 0.546633
H -0.227399 -1.460694 -1.120725
H -4.528036 1.403592 0.764291
H -2.411538 2.499580 1.056699
H 0.078384 2.459057 0.714384
H 3.729746 2.204937 1.000444
H 4.125068 1.152733 2.384339
H 2.328262 -0.471006 3.047426
H 1.205347 -1.010316 1.789753
H 5.268462 -0.484919 0.742570
H 4.805673 0.600857 -0.602476
H 5.950798 1.166935 0.643130
H 3.152141 -2.249378 0.635318
H 4.187035 -1.852961 2.049948
H 2.734451 -2.864735 2.267292


