%chk=000260876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260876

0 1
S 1.640544 -0.014298 0.411704
O -4.142742 0.127768 1.319749
O -2.001331 4.096569 -1.635106
N -1.094504 0.161797 0.736981
N -0.165552 1.867804 -0.481700
N -4.320852 1.959779 -0.014777
N -3.712474 3.140525 -0.510598
C -2.125728 1.021283 0.360010
C -1.262310 -1.096117 1.494274
C 0.075834 0.707113 0.196630
C -1.527370 2.069374 -0.382445
C -1.525618 -2.256451 0.564394
C -3.554245 0.962681 0.654060
C -2.334702 3.161848 -0.944623
C 2.760613 1.291214 -0.201021
C -0.463839 -3.029168 0.075091
C -2.845039 -2.563195 0.200952
C 4.115657 0.680123 -0.082660
C -0.724781 -4.107921 -0.774993
C -3.098748 -3.642627 -0.648525
C -2.040071 -4.415790 -1.137077
C 4.650185 -0.061713 -1.148771
C 4.863970 0.844640 1.094354
C 5.921583 -0.629705 -1.036377
C 6.134826 0.273817 1.199729
C 6.665577 -0.463347 0.136269
H -2.122924 -0.967335 2.205792
H -0.355451 -1.272872 2.121583
H -5.257555 2.146399 0.383132
H 2.641576 2.218792 0.395093
H 2.493970 1.572083 -1.242911
H -4.364403 3.674760 -1.112710
H 0.564207 -2.793658 0.348696
H -3.673368 -1.956272 0.581667
H 0.100040 -4.707735 -1.156935
H -4.123608 -3.880542 -0.930585
H -2.240069 -5.256374 -1.799731
H 4.074728 -0.195385 -2.064306
H 4.456034 1.417103 1.926334
H 6.333829 -1.203040 -1.865678
H 6.713253 0.404631 2.113293
H 7.656458 -0.906060 0.220642


%chk=000260876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260876

0 1
S 1.587024 -0.234999 0.498326
O -4.264000 0.172655 1.305118
O -1.702436 4.211110 -1.538478
N -1.194450 0.113645 0.728016
N -0.122740 1.789663 -0.411252
N -4.225414 2.169646 0.112542
N -3.564264 3.198171 -0.598567
C -2.168704 1.044538 0.354398
C -1.408667 -1.165875 1.466832
C 0.019638 0.609944 0.238613
C -1.485009 2.066107 -0.340170
C -1.672254 -2.361297 0.554731
C -3.595830 1.041038 0.648073
C -2.179802 3.240292 -0.885799
C 2.747302 1.148248 -0.196333
C -0.606634 -3.185221 0.112477
C -2.998721 -2.665113 0.153316
C 4.174992 0.679114 -0.095635
C -0.860171 -4.291054 -0.729821
C -3.250492 -3.771334 -0.688266
C -2.182921 -4.585678 -1.133419
C 4.780218 -0.023468 -1.170205
C 4.938978 0.937864 1.072286
C 6.122136 -0.454700 -1.081365
C 6.280853 0.507498 1.163141
C 6.875841 -0.190532 0.086145
H -2.269257 -0.996116 2.133548
H -0.503470 -1.327768 2.079805
H -5.225934 2.290285 0.285895
H 2.531779 2.042613 0.406454
H 2.408031 1.320425 -1.227835
H -4.147792 3.957590 -0.956907
H 0.420784 -2.962825 0.424300
H -3.821272 -2.032743 0.507553
H -0.030116 -4.922056 -1.066523
H -4.278048 -4.001198 -0.991667
H -2.380102 -5.444986 -1.784347
H 4.197454 -0.227435 -2.076460
H 4.479944 1.480439 1.907457
H 6.579636 -0.991306 -1.919817
H 6.861739 0.717887 2.067905
H 7.917751 -0.522570 0.154834


