%chk=000195841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195841

0 1
S 3.603374 0.147133 0.330630
O 0.134310 -2.414994 -0.205410
O 3.267165 1.555881 0.443680
O 4.040915 -0.578047 1.496299
N -0.744623 1.578258 -0.007476
N 2.233575 -0.671621 -0.330374
C -1.809455 0.666046 0.000132
C -1.528701 -0.720687 -0.073940
C 0.905219 -0.180771 -0.161067
C -0.155415 -1.227725 -0.151702
C 0.586385 1.145599 -0.097536
C -3.163200 1.104504 0.077757
C -2.600817 -1.645012 -0.067422
C -0.989104 3.034853 0.111640
C -4.184335 0.172765 0.080740
C -3.911133 -1.211034 0.008032
C 4.777075 -0.061998 -0.942107
H 1.359074 1.939003 -0.094585
H 2.234355 -1.716889 -0.298937
H -3.398069 2.162969 0.133934
H -2.356658 -2.712026 -0.123595
H -1.537481 3.266556 1.042992
H -1.571537 3.406119 -0.750608
H -0.037945 3.597016 0.142090
H -5.222396 0.505266 0.140269
H -4.732815 -1.922892 0.012935
H 5.516451 -0.847927 -0.722603
H 4.337782 -0.325864 -1.917277
H 5.361704 0.852620 -1.130390


%chk=000195841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195841

0 1
S 3.386509 -0.185630 0.545395
O -0.006964 -2.558027 -0.740708
O 2.684306 1.256740 0.967242
O 3.857339 -1.197281 1.753313
N -0.699941 1.544193 -0.355892
N 2.087008 -0.664792 -1.249783
C -1.770032 0.650853 -0.079123
C -1.561821 -0.759848 -0.223256
C 0.802126 -0.298712 -0.911284
C -0.246141 -1.306864 -0.629284
C 0.520250 1.075787 -0.759654
C -3.038743 1.136511 0.340173
C -2.631210 -1.648761 0.060093
C -0.883994 2.999671 -0.158636
C -4.082057 0.232876 0.608724
C -3.883904 -1.165924 0.470286
C 4.963632 0.276676 -0.420780
H 1.300787 1.810536 -0.955533
H 2.130202 -1.711918 -1.287328
H -3.217691 2.208112 0.458985
H -2.432756 -2.719795 -0.052856
H -1.149611 3.213827 0.890838
H -1.674159 3.388899 -0.824134
H 0.061468 3.511781 -0.386738
H -5.055344 0.618634 0.930533
H -4.702600 -1.860186 0.683603
H 5.417143 -0.666527 -0.754855
H 4.633736 0.899296 -1.261574
H 5.606163 0.816973 0.288335


