%chk=000196640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196640

0 1
S 0.771954 -0.504944 1.115383
O 1.327898 1.114416 -1.246229
O -0.350900 2.845300 -2.508436
O -5.367557 -1.841746 -0.191784
O 3.923942 -2.800516 -0.477175
O -4.091995 -1.201321 1.535833
O 4.103938 1.293799 1.734741
O 5.571986 -0.126257 2.655818
N -6.369460 0.813092 0.125472
N 1.540264 -3.157092 -1.874577
N 3.644218 -0.542639 -0.278689
C -4.037343 1.540198 0.562709
C -2.618895 1.445177 0.075778
C -4.935160 0.479051 -0.103926
C 1.719689 -1.949005 -1.030026
C -1.718136 0.577316 0.705719
C -0.396124 0.486705 0.260700
C 0.784936 -2.056992 0.175830
C -2.200727 2.233045 -1.014964
C 0.033106 1.253894 -0.822059
C -0.884720 2.133831 -1.454928
C 3.184469 -1.829484 -0.543985
C -4.717983 -0.885358 0.557191
C 4.995010 -0.348465 0.270665
C 4.957299 0.216657 1.678184
H -4.448670 2.554956 0.383464
H -4.081320 1.418868 1.671722
H -4.665132 0.378675 -1.191547
H 1.446121 -1.048678 -1.652339
H -2.054819 -0.040004 1.550410
H -0.237058 -2.336132 -0.155953
H 1.105528 -2.854167 0.879500
H -2.896953 2.909750 -1.503230
H -6.587450 1.741729 -0.221962
H -6.973366 0.147533 -0.356180
H 1.879785 -3.989283 -1.389231
H 2.086231 -3.079286 -2.729948
H 3.000022 0.257513 -0.193386
H 5.573097 0.346963 -0.386037
H 5.553385 -1.327388 0.284025
H 1.529138 1.764464 -1.983523
H -1.009077 3.472398 -2.897517
H -5.289093 -2.755966 0.192863
H 4.017120 1.671093 2.651325


%chk=000196640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196640

0 1
S 0.590509 -0.808012 2.048509
O 1.545050 1.517590 0.243461
O 0.070023 3.345996 -1.023315
O -4.940885 -1.726983 -1.720211
O 3.627943 -2.961311 -0.287268
O -4.147688 -1.743704 0.461664
O 4.490642 1.603643 -0.893237
O 6.644929 0.995607 -0.284079
N -6.280068 0.586413 -0.651181
N 1.067878 -3.131041 -1.418732
N 3.375451 -0.671841 0.088119
C -4.202140 1.165326 0.581224
C -2.684494 1.267695 0.522463
C -4.813755 0.410358 -0.628430
C 1.364560 -2.015982 -0.497993
C -1.863599 0.332215 1.197405
C -0.451163 0.398131 1.123230
C 0.561865 -2.256723 0.808716
C -2.065958 2.302682 -0.229939
C 0.150987 1.421720 0.360553
C -0.665194 2.373091 -0.304133
C 2.892236 -1.920840 -0.220696
C -4.570739 -1.101449 -0.519250
C 4.783923 -0.462787 0.391010
C 5.422798 0.740746 -0.285718
H -4.644137 2.181789 0.589801
H -4.527861 0.655593 1.503855
H -4.306037 0.756802 -1.560462
H 1.005747 -1.072161 -0.948472
H -2.326712 -0.468756 1.780823
H -0.488207 -2.456197 0.545280
H 0.967410 -3.115332 1.372712
H -2.682912 3.051213 -0.745643
H -6.594692 1.547439 -0.496523
H -6.752904 0.116877 -1.427882
H 1.705962 -3.919490 -1.236670
H 1.103756 -2.857565 -2.407066
H 2.716723 0.117481 0.200348
H 5.338570 -1.371679 0.094033
H 4.958310 -0.337058 1.480847
H 1.786641 2.282337 -0.342419
H -0.516951 4.000475 -1.471155
H -4.822019 -2.711960 -1.633481
H 4.993400 2.361353 -1.300398


