%chk=000290564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290564

0 1
S -2.058738 0.610616 -0.331888
O 4.623986 0.795775 2.382420
O 2.181432 2.324363 1.625089
N 0.398103 -0.262549 -0.920289
N 0.258110 1.547214 0.647986
C 1.813325 -0.251202 -0.863232
C 2.455474 0.649453 -0.063927
C 2.491901 -1.279559 -1.725839
C 3.946541 0.751471 0.020269
C 2.304630 -2.672074 -1.180566
C 1.686642 1.578818 0.805845
C -0.304494 0.677839 -0.146888
C 4.508644 -0.025327 1.221112
C 1.768517 -3.679712 -1.993918
C 2.679951 -2.964234 0.139646
C -2.640699 1.919203 0.799335
C -4.124152 1.871417 0.661908
C 1.610309 -4.973239 -1.486012
C 2.517086 -4.256861 0.641070
C 1.982083 -5.263861 -0.170336
C -4.883761 1.038561 1.499721
C -4.769026 2.661186 -0.303979
C -6.274391 0.999894 1.371391
C -6.160033 2.617507 -0.426669
C -6.914453 1.787975 0.409360
H 3.586959 -1.059376 -1.791243
H 2.135963 -1.200824 -2.776633
H 4.240981 1.824096 0.121096
H 4.425076 0.404451 -0.917352
H -0.080783 -0.982098 -1.462716
H 5.549663 -0.357659 1.047084
H 3.877941 -0.906988 1.470498
H 1.481010 -3.466607 -3.021100
H 3.098943 -2.177012 0.779110
H -2.198108 2.899072 0.519042
H -2.282423 1.725959 1.833289
H 1.195931 -5.756295 -2.120082
H 2.807791 -4.481326 1.667395
H 1.856814 -6.271331 0.222947
H -4.390864 0.422648 2.251177
H -4.186802 3.309550 -0.957777
H 3.830790 1.390321 2.473909
H -6.860806 0.354296 2.023917
H -6.657335 3.232667 -1.175455
H -7.998327 1.756784 0.312386


%chk=000290564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290564

0 1
S -1.734386 0.252133 -2.001638
O 3.330762 2.527260 2.891066
O 1.384683 2.880117 1.043067
N 0.663258 -0.541852 -1.006535
N 0.032542 1.671063 -0.420169
C 1.912686 -0.432302 -0.381631
C 2.242603 0.753099 0.262736
C 2.827385 -1.654298 -0.498369
C 3.591377 0.992926 0.913125
C 2.113682 -2.953325 -0.858616
C 1.224014 1.829482 0.333220
C -0.212041 0.532554 -1.032078
C 3.564562 1.157389 2.469951
C 2.153484 -3.464354 -2.181522
C 1.385751 -3.670723 0.128134
C -2.717101 1.838076 -1.507628
C -3.525469 1.675351 -0.246520
C 1.487485 -4.668061 -2.511753
C 0.719178 -4.871890 -0.198873
C 0.768545 -5.374427 -1.520980
C -3.011441 2.139841 0.993362
C -4.814456 1.080412 -0.280937
C -3.774099 2.005995 2.175191
C -5.574868 0.946200 0.900642
C -5.055402 1.408636 2.133320
H 3.357111 -1.775780 0.462501
H 3.605142 -1.433623 -1.255402
H 4.028197 1.928874 0.511785
H 4.287537 0.177565 0.647716
H 0.402972 -1.441804 -1.425097
H 4.556244 0.886170 2.874879
H 2.811835 0.459325 2.903109
H 2.717949 -2.925928 -2.952865
H 1.346544 -3.288066 1.155473
H -3.335116 2.013202 -2.402879
H -1.938513 2.611003 -1.414824
H 1.533098 -5.052508 -3.536448
H 0.165708 -5.415850 0.574199
H 0.254118 -6.307653 -1.774400
H -2.016315 2.597212 1.021095
H -5.220680 0.722059 -1.235364
H 2.576715 2.881184 2.322722
H -3.369359 2.371476 3.125484
H -6.570069 0.488893 0.862187
H -5.646448 1.307948 3.050668


