%chk=000230700.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230700

0 1
S 1.127406 1.833956 -0.071089
O 1.053461 2.533806 1.177812
O 1.286193 2.580253 -1.306218
O -0.270362 -0.246536 1.464991
N -0.472871 1.094370 -0.350576
N -2.474687 1.099780 -1.702386
C 2.225223 0.533517 -0.033035
C -2.361637 -0.358283 0.278891
C -1.001014 0.114497 0.560793
C -3.065332 0.143439 -0.842847
C 2.943378 0.197694 -1.192345
C 2.444711 -0.186155 1.150394
C -1.268642 1.535570 -1.448900
C 4.083091 -1.570746 0.015447
C 3.864119 -0.844623 -1.172169
C 3.368497 -1.230780 1.175885
C -2.976847 -1.307290 1.122414
C -4.376236 -0.309835 -1.116389
C -4.263314 -1.745055 0.846119
C -4.959691 -1.244140 -0.274172
C 5.079167 -2.679297 0.042264
H 2.783203 0.765204 -2.117763
H 1.879097 0.065237 2.060179
H -0.798755 2.292906 -2.113998
H 4.417955 -1.098347 -2.074401
H 3.529524 -1.784581 2.099846
H -2.422793 -1.682679 1.987376
H -4.904446 0.087303 -1.984714
H -4.745308 -2.476670 1.492812
H -5.971965 -1.600278 -0.474634
H 6.076264 -2.299132 0.318272
H 5.185839 -3.176964 -0.932077
H 4.822774 -3.459940 0.773019


%chk=000230700-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230700

0 1
S 1.132404 1.864440 -0.032292
O 1.088813 2.628467 1.387055
O 1.343019 2.698324 -1.412439
O -0.449847 -0.220728 1.598963
N -0.652283 1.037016 -0.372703
N -2.581170 1.049582 -1.780578
C 2.353939 0.432120 -0.016478
C -2.518920 -0.335076 0.296246
C -1.147582 0.130375 0.601791
C -3.184932 0.142582 -0.882978
C 3.053396 0.182848 -1.208566
C 2.553988 -0.270595 1.181485
C -1.356610 1.462423 -1.491682
C 4.268089 -1.596849 -0.005226
C 4.015389 -0.850252 -1.187164
C 3.527420 -1.292523 1.169154
C -3.169918 -1.244109 1.170245
C -4.504910 -0.308391 -1.160955
C -4.473535 -1.678543 0.879415
C -5.138929 -1.208050 -0.288394
C 5.328053 -2.681666 0.010465
H 2.864763 0.780950 -2.105491
H 1.957654 -0.045729 2.069238
H -0.834800 2.172947 -2.141677
H 4.578696 -1.073380 -2.100101
H 3.706760 -1.865200 2.085746
H -2.633175 -1.585887 2.060999
H -4.998098 0.066707 -2.062440
H -4.980770 -2.378937 1.551074
H -6.155981 -1.550662 -0.507888
H 6.307035 -2.266177 0.318653
H 5.462735 -3.133779 -0.987097
H 5.075314 -3.486049 0.722423


