%chk=000239739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239739

0 1
S -3.288405 -1.389314 -0.232567
O -3.550378 -2.571272 0.539853
O -2.443526 -1.488017 -1.391878
O -3.239557 1.973083 1.607981
N -2.662469 -0.143308 0.825314
C 1.170446 -0.159422 1.086611
C 2.296400 0.062241 0.067316
C -0.206922 0.009835 0.434969
C 3.677932 -0.105351 0.713937
C -1.325061 -0.217807 1.462900
C 4.803373 0.114770 -0.306010
C 6.185699 -0.051791 0.339477
C 7.311152 0.168141 -0.680492
C -4.740198 -0.489519 -0.561238
C -3.488764 0.993769 0.945345
C -4.730679 0.749758 0.117237
C 8.693340 0.001952 -0.035114
C 9.820169 0.221671 -1.054409
C -5.809390 -0.849042 -1.355493
C -5.789313 1.633976 0.003695
C -6.894024 0.047279 -1.477797
C -6.883132 1.267598 -0.809226
C 11.198423 0.057522 -0.417445
H 1.281884 0.551459 1.928669
H 1.259912 -1.171633 1.527476
H 2.208537 1.072228 -0.377900
H 2.185779 -0.647976 -0.775590
H -0.313982 -0.690785 -0.421403
H -0.299673 1.022249 -0.005798
H 3.765976 -1.115653 1.158194
H 3.789075 0.605153 1.555642
H -1.267960 0.549438 2.272918
H -1.224972 -1.213430 1.952821
H 4.692865 -0.596357 -1.147460
H 4.715379 1.124298 -0.751832
H 6.273958 -1.061549 0.784748
H 6.296516 0.659080 1.180865
H 7.222799 1.177608 -1.126276
H 7.200563 -0.543161 -1.521620
H 8.805410 0.712431 0.806226
H 8.783158 -1.007160 0.410850
H 9.732543 1.231827 -1.500098
H 9.710337 -0.490271 -1.895755
H -5.832561 -1.803522 -1.885759
H -5.776324 2.590717 0.530988
H -7.744403 -0.226771 -2.103748
H -7.725930 1.954644 -0.909137
H 11.332506 -0.946477 0.000924
H 11.354769 0.774568 0.396424
H 11.995621 0.215995 -1.152135


%chk=000239739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239739

0 1
S -3.442394 -1.533072 -0.273986
O -3.679299 -2.813931 0.691163
O -2.619979 -1.756150 -1.654616
O -3.234923 2.057480 1.460519
N -2.707576 -0.112190 0.738178
C 1.158466 -0.168209 1.019197
C 2.327980 0.070127 0.037393
C -0.221899 -0.007738 0.345266
C 3.718402 -0.084890 0.693174
C -1.374984 -0.266606 1.340970
C 4.883907 0.131578 -0.298389
C 6.278516 -0.019188 0.349823
C 7.440491 0.179571 -0.649872
C -4.986009 -0.479331 -0.528069
C -3.535455 1.002193 0.832435
C -4.827889 0.766494 0.101420
C 8.837463 0.030076 -0.006302
C 9.997331 0.218910 -1.011092
C -6.119971 -0.864658 -1.247204
C -5.877945 1.702794 0.013296
C -7.169006 0.087663 -1.327009
C -7.046312 1.354215 -0.703521
C 11.389593 0.065999 -0.361164
H 1.243530 0.540708 1.869208
H 1.246696 -1.188116 1.448982
H 2.239247 1.087307 -0.397725
H 2.241790 -0.639986 -0.811050
H -0.306965 -0.706356 -0.508964
H -0.324170 1.016721 -0.061604
H 3.802483 -1.097562 1.140477
H 3.811952 0.635229 1.532944
H -1.334482 0.456430 2.178440
H -1.302313 -1.285184 1.770193
H 4.789745 -0.591523 -1.135533
H 4.797541 1.142061 -0.750286
H 6.361434 -1.025674 0.811245
H 6.379127 0.711879 1.179321
H 7.356610 1.185060 -1.113480
H 7.338974 -0.553010 -1.478017
H 8.944153 0.766966 0.817369
H 8.920865 -0.973106 0.462363
H 9.913604 1.221375 -1.478733
H 9.888325 -0.517259 -1.833716
H -6.202856 -1.844738 -1.725697
H -5.761337 2.675149 0.502394
H -8.080888 -0.163760 -1.877976
H -7.868581 2.072860 -0.778721
H 11.510115 -0.939784 0.084339
H 11.532907 0.808545 0.446710
H 12.200881 0.208332 -1.098891


