%chk=000251790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251790

0 1
S 4.248034 -1.989562 -0.231071
S 4.845276 1.794429 0.196330
O 2.686380 -1.801124 0.394345
O 3.336524 2.051181 -0.530259
O 4.570213 -0.783926 -0.977871
O 4.208066 -3.214148 -0.990113
O 4.751136 0.577615 0.987118
O 5.112758 3.005823 0.931678
O -7.896405 -0.998246 -0.456654
O -7.681981 0.435271 1.145773
N 0.696719 0.503221 -0.058906
N -7.220071 -0.279415 0.266191
C 1.357599 -0.365520 -1.057655
C 1.600841 1.146586 0.927717
C 1.592244 -1.790686 -0.531859
C 2.240006 2.406793 0.319382
C -0.658825 0.437513 0.192616
C -1.556059 -0.289368 -0.536432
C -2.983791 -0.262066 -0.311170
C -3.582009 0.543423 0.688312
C -3.823128 -1.073822 -1.117462
C 5.113168 -2.175896 1.239825
C 5.823006 1.674391 -1.208815
C -4.956870 0.540172 0.878068
C -5.196651 -1.082080 -0.933637
C -5.769676 -0.273359 0.067915
H 0.742127 -0.395012 -1.986182
H 2.335354 0.110724 -1.345087
H 1.051467 1.410629 1.856773
H 2.400087 0.416429 1.234625
H 0.743297 -2.154376 0.084916
H 1.773599 -2.512827 -1.351332
H 1.551246 2.929631 -0.377333
H 2.576252 3.117469 1.099565
H -1.009139 1.074471 1.023899
H -1.220402 -0.931140 -1.349311
H -2.959191 1.176283 1.317052
H -3.379799 -1.698214 -1.891536
H 4.537667 -2.694598 2.025905
H 5.378909 -1.193034 1.703891
H 6.056630 -2.731724 1.144911
H 6.891656 1.864982 -1.036542
H 5.764575 0.662203 -1.682858
H 5.521030 2.364557 -2.015255
H -5.421014 1.162761 1.650545
H -5.846959 -1.707715 -1.554515


%chk=000251790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251790

0 1
S 4.310454 -2.336964 -0.325551
S 5.026296 2.088404 0.282034
O 2.636955 -1.910379 0.412344
O 3.370214 2.078239 -0.610008
O 4.810090 -1.155012 -1.323733
O 4.236951 -3.839235 -0.915922
O 5.096373 0.867070 1.350875
O 5.286665 3.587539 0.828255
O -8.030524 -1.062759 -0.503761
O -7.821718 0.422007 1.222892
N 0.703787 0.466453 0.000925
N -7.316898 -0.311444 0.277938
C 1.335152 -0.362924 -1.045362
C 1.570831 1.234892 0.919523
C 1.554642 -1.821441 -0.599531
C 2.239674 2.463001 0.269614
C -0.665113 0.443047 0.195183
C -1.605094 -0.274819 -0.524556
C -3.042946 -0.244454 -0.284898
C -3.673106 0.539032 0.738491
C -3.893904 -1.047810 -1.112452
C 5.211648 -2.255998 1.337547
C 6.019362 1.686804 -1.277753
C -5.060758 0.520259 0.924478
C -5.284094 -1.077314 -0.939055
C -5.864702 -0.289915 0.084059
H 0.695053 -0.351151 -1.948240
H 2.302699 0.087383 -1.322003
H 0.946396 1.588150 1.760665
H 2.352954 0.576100 1.339782
H 0.667009 -2.225922 -0.081117
H 1.783996 -2.477318 -1.463690
H 1.543166 2.998138 -0.400739
H 2.595271 3.173630 1.043781
H -0.998636 1.079745 1.022996
H -1.277897 -0.925569 -1.344145
H -3.070201 1.171931 1.398360
H -3.440065 -1.656853 -1.903368
H 4.639754 -2.904091 2.014018
H 5.190911 -1.191406 1.617294
H 6.225729 -2.632584 1.143527
H 7.075807 1.728267 -0.977707
H 5.686177 0.675976 -1.561654
H 5.751794 2.462749 -2.006321
H -5.544461 1.116260 1.703187
H -5.931794 -1.691016 -1.570705


