%chk=000229181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229181

0 1
S -0.739748 -2.001797 -0.095936
O -0.387138 -2.335788 -1.455781
O -1.291508 -3.043206 0.756807
N 1.377085 -0.527091 0.211346
N 0.708076 -1.574944 0.782522
N -4.133116 2.816751 0.105547
C 3.200131 1.051141 -0.123378
C 2.585896 -0.187007 0.558176
C 4.473240 0.609145 -0.868913
C 2.228378 1.690925 -1.131384
C 3.541307 2.084088 0.967219
C 3.428374 -0.910155 1.568971
C -1.723483 -0.610911 -0.046596
C -1.464128 0.471597 -0.901562
C -2.799428 -0.543696 0.852783
C -2.267329 1.604159 -0.878332
C -3.619764 0.574237 0.898334
C -3.354280 1.664842 0.029996
H 4.928463 1.449152 -1.403749
H 4.246269 -0.167013 -1.609490
H 5.231100 0.204919 -0.191277
H 2.672721 2.566851 -1.611879
H 1.299355 2.008529 -0.643633
H 1.950039 0.981003 -1.920350
H 4.284725 1.706670 1.675791
H 2.649451 2.359929 1.541297
H 3.946648 3.001195 0.527345
H 4.418164 -0.452862 1.698549
H 2.947977 -0.911245 2.557889
H 3.600446 -1.954488 1.272984
H 1.199753 -2.265477 1.365770
H -0.618122 0.421913 -1.599302
H -2.998271 -1.390838 1.523049
H -2.057280 2.436269 -1.542778
H -4.448721 0.616418 1.597886
H -4.066165 3.515135 -0.614629
H -5.000419 2.803049 0.614005


%chk=000229181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229181

0 1
S -0.729760 -1.820829 -0.325626
O -0.256928 -1.884861 -1.881838
O -1.238925 -3.144827 0.479239
N 1.512161 -0.292992 0.186605
N 0.723924 -1.227591 0.832049
N -4.827486 2.587175 0.229733
C 3.561755 1.014390 -0.119443
C 2.748061 -0.076956 0.593807
C 4.845023 0.369572 -0.728133
C 2.741277 1.669953 -1.257763
C 3.970133 2.109525 0.912261
C 3.355006 -0.860398 1.747059
C -1.968189 -0.453784 -0.144056
C -2.012152 0.552429 -1.126209
C -2.842378 -0.483168 0.958013
C -2.972449 1.570046 -0.998703
C -3.800964 0.535984 1.080231
C -3.878510 1.579639 0.106155
H 5.451270 1.148418 -1.226754
H 4.578669 -0.393883 -1.481191
H 5.479497 -0.108111 0.040666
H 3.357856 2.434290 -1.767111
H 1.830756 2.152831 -0.863487
H 2.421242 0.918108 -1.999015
H 4.574398 1.697986 1.741556
H 3.075306 2.593490 1.344060
H 4.575085 2.887955 0.411007
H 4.380371 -0.535559 1.976375
H 2.738389 -0.745200 2.660009
H 3.394032 -1.946981 1.519674
H 1.165337 -2.126781 1.136015
H -1.319665 0.522645 -1.973221
H -2.781952 -1.297207 1.687404
H -3.026679 2.362818 -1.753593
H -4.496399 0.530055 1.927391
H -4.896526 3.327382 -0.462679
H -5.481892 2.595835 1.006808


