%chk=000231997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231997

0 1
S -1.802998 1.529363 -0.348817
O -2.895235 2.322142 0.182344
O -1.235316 1.874665 -1.636299
O 4.356820 -0.835939 -0.102790
N -0.572854 1.640460 0.855697
N 0.615284 -0.142329 2.710102
C 0.712706 1.056668 0.557877
C -2.220144 -0.147534 -0.327999
C 1.255218 0.114267 1.492316
C 1.436387 1.383939 -0.594396
C 2.485806 -0.505018 1.210328
C -3.373166 -0.563773 0.345481
C -1.414882 -1.079586 -0.989505
C 3.170031 -0.154632 0.036921
C 2.663185 0.781685 -0.876021
C -3.718904 -1.917888 0.363868
C -1.759083 -2.435005 -0.970141
C -2.910360 -2.852162 -0.293754
C 5.175524 -0.544255 -1.262016
H -0.487890 2.521334 1.382944
H 1.021238 2.109369 -1.307481
H 2.929729 -1.226843 1.888992
H -4.009623 0.171706 0.852148
H -0.517563 -0.753490 -1.527121
H 3.197103 1.046229 -1.780145
H -4.618101 -2.243584 0.884568
H -1.132455 -3.162396 -1.484433
H -3.180584 -3.908904 -0.281067
H -0.357165 0.122128 2.793841
H 0.858381 -0.986675 3.202175
H 5.482576 0.505709 -1.255137
H 4.641755 -0.807258 -2.179609
H 6.035680 -1.207091 -1.101470


%chk=000231997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231997

0 1
S -1.503725 0.843654 -0.608051
O -2.451756 2.166955 -0.894575
O -0.491966 0.262686 -1.778798
O 5.060140 -0.323580 -0.534676
N -0.039279 1.183333 1.237956
N 0.839475 -1.343974 1.539565
C 1.218217 0.914644 0.753410
C -2.714353 -0.574561 -0.235531
C 1.693340 -0.459834 0.929182
C 2.085069 1.846377 0.088828
C 2.987061 -0.819551 0.486194
C -3.994727 -0.243155 0.237527
C -2.287327 -1.894151 -0.461692
C 3.808476 0.141634 -0.135901
C 3.364744 1.491058 -0.335386
C -4.893453 -1.302049 0.509202
C -3.199914 -2.939847 -0.188123
C -4.495009 -2.643781 0.301478
C 5.961776 0.601330 -1.235563
H -0.272360 2.197185 1.209918
H 1.715131 2.864253 -0.083678
H 3.370001 -1.837043 0.609952
H -4.280356 0.807021 0.358238
H -1.287929 -2.085339 -0.867512
H 4.003245 2.226806 -0.830118
H -5.901085 -1.077402 0.875137
H -2.903914 -3.979333 -0.367048
H -5.197288 -3.458476 0.510118
H -0.055940 -0.974779 1.868394
H 1.095921 -2.312139 1.710716
H 6.232758 1.459581 -0.592487
H 5.507571 0.961978 -2.177032
H 6.858558 0.005800 -1.458244


