%chk=000219046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219046

0 1
S 1.182080 -2.953014 1.216513
O 1.587633 -0.687649 -0.070069
O -2.154109 -2.267934 -1.653073
O -4.587341 0.462106 -0.469346
O 2.312198 0.806025 1.844060
O -3.060266 0.614374 1.197144
N -1.112662 -2.058042 0.346196
C 0.157803 -2.545768 -0.239433
C -1.053780 -1.610332 1.772862
C 0.377593 -1.715182 2.282637
C 0.887463 -1.488698 -1.070660
C -2.232998 -1.960165 -0.472969
C -3.554590 -1.536419 0.148653
C 2.085815 0.528615 -0.481260
C -3.651047 -0.055282 0.380612
C 2.517930 1.365910 0.598908
C 2.221426 0.965104 -1.793271
C 3.076146 2.609773 0.336806
C 2.784850 2.231249 -2.045203
C 3.205831 3.039312 -0.998747
C -4.817758 1.911762 -0.446896
C -3.690403 2.618123 -1.166550
C 2.774809 1.563095 2.989140
H -0.032614 -3.462838 -0.858208
H -1.417383 -0.552283 1.845842
H -1.740443 -2.249802 2.372167
H 0.437809 -2.036256 3.334272
H 0.925808 -0.746331 2.180426
H 0.189533 -0.856401 -1.650143
H 1.645719 -1.937386 -1.736763
H -3.747886 -2.078330 1.099808
H -4.367461 -1.865667 -0.552240
H 1.908175 0.346355 -2.629006
H 3.411248 3.259289 1.139528
H 2.888100 2.566335 -3.075596
H 3.642118 4.015976 -1.198313
H -4.925183 2.232528 0.604039
H -5.784259 1.969081 -0.981163
H -3.915975 3.679503 -1.324782
H -3.495308 2.168737 -2.150238
H -2.750956 2.562704 -0.595499
H 3.855354 1.723071 2.930122
H 2.225254 2.505325 3.068699
H 2.525127 0.889030 3.818095


%chk=000219046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219046

0 1
S 1.158483 -3.400935 0.984326
O 0.918490 -0.434120 -0.164006
O -2.308818 -2.233214 -1.698494
O -3.822512 0.653063 -0.457409
O 1.484105 1.320171 1.710201
O -3.198221 0.335433 1.768027
N -1.194182 -2.256377 0.334289
C 0.051390 -2.675852 -0.361795
C -1.132409 -2.193950 1.825210
C 0.346639 -2.225908 2.234048
C 0.689740 -1.513906 -1.128350
C -2.324266 -2.068644 -0.438762
C -3.609077 -1.610147 0.294763
C 1.570864 0.720232 -0.607643
C -3.533037 -0.130612 0.649197
C 1.871395 1.680585 0.409291
C 1.922890 0.984385 -1.947438
C 2.522453 2.882803 0.060846
C 2.574946 2.194541 -2.286952
C 2.873683 3.139324 -1.287468
C -3.604931 2.129733 -0.311297
C -2.141719 2.478730 -0.595104
C 1.749799 2.287645 2.776859
H -0.175782 -3.481241 -1.082857
H -1.614787 -1.271657 2.193872
H -1.660002 -3.074417 2.244535
H 0.486550 -2.644429 3.242933
H 0.820667 -1.239784 2.133525
H -0.005119 -1.182857 -1.926982
H 1.647473 -1.838874 -1.579839
H -3.762387 -2.183557 1.222473
H -4.437894 -1.783938 -0.407664
H 1.684901 0.259553 -2.731514
H 2.766557 3.621279 0.830141
H 2.841945 2.386983 -3.330967
H 3.381655 4.074780 -1.542608
H -3.906863 2.429243 0.707537
H -4.290202 2.563299 -1.056880
H -2.012671 3.576659 -0.567860
H -1.839147 2.121739 -1.593968
H -1.471780 2.034073 0.160036
H 2.835893 2.468665 2.895933
H 1.232333 3.247812 2.586656
H 1.346355 1.823296 3.688258


