%chk=000279689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279689

0 1
S -3.046313 0.156787 0.050833
O -3.961340 -0.524427 -0.843744
O -3.183423 -0.009832 1.476213
O -0.468865 1.262522 1.056351
N -3.087854 1.813204 -0.389396
N 1.006059 -0.098035 -0.083296
C -2.975750 2.799633 0.728453
C -4.133110 2.189982 -1.390741
C -2.647862 4.191187 0.163711
C -3.809038 3.572639 -1.981052
C -3.687232 4.629427 -0.875566
C -1.394211 -0.358436 -0.466864
C -1.305710 -1.849122 -0.292687
C -0.276764 0.358958 0.269359
C -1.131290 -2.675762 -1.412592
C -1.378534 -2.413381 0.991235
C 2.248445 0.398379 0.430189
C -1.025384 -4.059728 -1.245207
C -1.269003 -3.796294 1.149038
C 3.459730 -0.283213 0.018285
C -1.088805 -4.621398 0.033382
C 4.701405 0.215311 0.492285
C 2.309827 1.492416 1.270515
C 3.464406 -1.430852 -0.835448
C 4.733224 1.354090 1.357569
C 3.565673 1.967210 1.733704
C 5.915135 -0.435362 0.097126
C 4.640766 -2.038084 -1.198473
C 5.885608 -1.531668 -0.726622
H -3.909391 2.840581 1.332044
H -2.155353 2.469198 1.414312
H -5.149783 2.200556 -0.936993
H -4.151869 1.423401 -2.199692
H -1.640313 4.171417 -0.298276
H -2.595023 4.920901 0.992605
H -4.594472 3.857376 -2.705064
H -2.860411 3.520151 -2.550931
H -3.401185 5.604409 -1.311649
H -4.668856 4.786285 -0.389246
H -1.301051 -0.090828 -1.557240
H -1.101514 -2.250475 -2.413950
H -1.543357 -1.774748 1.866794
H 1.076592 -0.918947 -0.699428
H -0.900126 -4.701535 -2.116460
H -1.330538 -4.232119 2.146465
H -1.006748 -5.699659 0.160748
H 1.401187 2.009268 1.598211
H 2.515378 -1.829418 -1.197623
H 5.696322 1.717844 1.709485
H 3.576108 2.833213 2.396752
H 6.860248 -0.039434 0.467164
H 4.641540 -2.912280 -1.847324
H 6.805026 -2.030611 -1.030164


%chk=000279689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279689

0 1
S -2.391093 0.507215 0.502477
O -3.476618 -0.709650 0.515243
O -1.639068 0.892271 1.901278
O 0.302042 2.083882 -0.554028
N -3.260782 2.005834 -0.364771
N 1.365752 0.027745 -0.117347
C -2.680426 3.289728 0.139705
C -4.735437 1.925133 -0.125582
C -3.293529 4.423960 -0.720637
C -5.387855 3.015961 -1.010447
C -4.837401 4.414316 -0.647188
C -0.957397 0.045653 -0.929993
C -0.941537 -1.439280 -1.097352
C 0.294727 0.814221 -0.507090
C -1.176519 -1.996296 -2.382459
C -0.701010 -2.314360 0.000551
C 2.650459 0.434273 0.332421
C -1.132016 -3.393235 -2.577399
C -0.665779 -3.710636 -0.195796
C 3.634922 -0.603532 0.585533
C -0.871788 -4.253903 -1.485850
C 4.940566 -0.203721 1.073273
C 2.969914 1.786837 0.541158
C 3.390015 -2.003483 0.379984
C 5.231443 1.184471 1.280511
C 4.263031 2.152152 1.014628
C 5.928068 -1.208903 1.340433
C 4.373868 -2.959576 0.648414
C 5.656500 -2.562061 1.135840
H -2.916929 3.452147 1.213873
H -1.586120 3.253815 0.013944
H -4.994636 2.105780 0.941829
H -5.084861 0.917679 -0.403814
H -2.964711 4.289757 -1.768611
H -2.884362 5.388344 -0.363863
H -6.484838 2.970329 -0.870585
H -5.174238 2.789762 -2.072501
H -5.258802 5.180734 -1.324577
H -5.159189 4.678639 0.380995
H -1.424368 0.584432 -1.769327
H -1.386912 -1.331488 -3.228443
H -0.598812 -1.904769 1.013645
H 1.200798 -0.980976 -0.171869
H -1.307967 -3.809689 -3.575005
H -0.498896 -4.374558 0.659137
H -0.847453 -5.338754 -1.635634
H 2.215598 2.547888 0.338002
H 2.427580 -2.365407 -0.002296
H 6.223452 1.469469 1.648861
H 4.484845 3.212900 1.172184
H 6.909405 -0.889859 1.711165
H 4.161065 -4.020860 0.480711
H 6.419503 -3.319633 1.343767


