%chk=000290620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290620

0 1
S -1.921178 0.808786 1.426249
O 1.571656 0.388306 1.715196
O -2.915464 0.619089 2.456438
O -0.780737 1.687910 1.683000
N -2.645587 1.606093 0.076204
C 1.886783 0.340342 0.320676
C 0.559638 0.223523 -0.487218
C -0.315302 -0.903418 -0.013673
C 2.658400 1.607804 -0.050988
C 2.769914 -0.889835 0.143004
C -1.431056 -0.710010 0.819225
C -0.001841 -2.201201 -0.454002
C -0.766275 -3.303515 -0.059589
C -2.195316 -1.827135 1.213501
C 2.638301 2.146817 -1.343408
C 3.402468 -1.135757 -1.084218
C 3.429054 2.227714 0.944206
C 2.948134 -1.783922 1.207731
C -1.879256 -3.107035 0.783815
C 3.375516 3.299355 -1.634495
C 4.199768 -2.272173 -1.244317
C 4.163251 3.379124 0.651710
C 3.748187 -2.918075 1.043990
C -0.404928 -4.670371 -0.532843
C 4.137295 3.917850 -0.638986
C 4.373007 -3.165534 -0.182051
C -3.889173 1.268324 -0.520004
C -4.798487 0.399402 0.113251
C -4.195142 1.812858 -1.787453
C -5.985071 0.059814 -0.537949
C -5.389627 1.461844 -2.414525
C -6.285253 0.579537 -1.800844
H 0.797822 0.081282 -1.563168
H 0.047637 1.208257 -0.440300
H 0.870661 -2.353164 -1.092062
H 0.940163 1.152528 1.913510
H -3.055889 -1.684136 1.881946
H 2.053192 1.678753 -2.132142
H 3.289158 -0.437165 -1.911271
H 3.446225 1.799907 1.950587
H 2.458412 -1.581824 2.165384
H -2.482360 -3.955586 1.099341
H -2.220140 2.480310 -0.260903
H 3.354974 3.715024 -2.640022
H 4.692996 -2.457505 -2.196501
H 4.756229 3.856399 1.430257
H 3.886971 -3.606306 1.875814
H -0.564240 -4.769404 -1.617741
H 0.657545 -4.893307 -0.345818
H -0.989148 -5.463587 -0.047599
H 4.708905 4.815297 -0.867061
H 4.998135 -4.047018 -0.307923
H -4.615193 0.025472 1.122507
H -3.507047 2.497309 -2.274450
H -6.689054 -0.613294 -0.047712
H -5.625596 1.879739 -3.393176
H -7.211735 0.307405 -2.298331


%chk=000290620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290620

0 1
S -1.973404 0.936302 1.325691
O 1.573076 0.445196 1.717823
O -3.235933 0.795301 2.345135
O -0.706273 1.892108 1.757583
N -2.474901 1.736380 -0.430904
C 1.912669 0.296864 0.305796
C 0.597354 0.047697 -0.540761
C -0.294202 -1.040380 0.027014
C 2.645417 1.566635 -0.195814
C 2.844888 -0.931267 0.209367
C -1.420487 -0.810418 0.853717
C -0.019903 -2.403971 -0.252078
C -0.793075 -3.470741 0.271731
C -2.230702 -1.825610 1.390360
C 2.509707 2.081900 -1.509514
C 3.527801 -1.225424 -0.998264
C 3.522304 2.225555 0.704416
C 3.004562 -1.797489 1.316487
C -1.904276 -3.165612 1.097510
C 3.232313 3.228447 -1.914162
C 4.339553 -2.376328 -1.103273
C 4.245920 3.367266 0.301791
C 3.823025 -2.946351 1.214692
C -0.417798 -4.906993 -0.039094
C 4.105522 3.874553 -1.011925
C 4.489680 -3.244787 0.004308
C -3.813670 1.464391 -0.844252
C -4.077852 0.221961 -1.486719
C -4.867978 2.404805 -0.668293
C -5.374902 -0.065772 -1.953666
C -6.156752 2.120341 -1.164308
C -6.416127 0.882983 -1.800692
H 0.894332 -0.244176 -1.563674
H 0.048542 1.002162 -0.617098
H 0.843526 -2.631297 -0.888072
H 0.814313 1.106396 1.813476
H -3.085839 -1.564163 2.022016
H 1.832698 1.608025 -2.228859
H 3.446832 -0.544305 -1.853811
H 3.612743 1.834662 1.722679
H 2.484137 -1.548736 2.244637
H -2.517410 -3.973272 1.511996
H -2.323523 2.738930 -0.192483
H 3.109961 3.615805 -2.932324
H 4.864984 -2.587749 -2.041807
H 4.917327 3.863873 1.011691
H 3.941815 -3.605160 2.082914
H -0.368341 -5.083054 -1.129502
H 0.581258 -5.146351 0.371056
H -1.141485 -5.620247 0.389918
H 4.665489 4.763046 -1.325092
H 5.126218 -4.133687 -0.073776
H -3.254903 -0.486550 -1.627180
H -4.671164 3.350031 -0.147662
H -5.573820 -1.021712 -2.449889
H -6.961599 2.852677 -1.040206
H -7.421347 0.659206 -2.173853


