%chk=000186266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186266

0 1
S 0.449184 -0.540730 -0.750377
S 1.658303 -0.140023 1.988626
O -1.088945 -0.787769 -2.065364
N -2.151312 -0.781803 -0.177045
N 3.059975 -0.333485 -0.252640
N -2.168259 -0.894068 -1.486126
C -3.434698 -0.971738 0.637263
C -3.516246 0.163958 1.665009
C -4.650882 -0.925095 -0.295043
C -3.335579 -2.338587 1.327493
C -0.874422 -0.545398 0.551362
C 4.315449 -0.127387 0.535272
C 3.252728 -0.529817 -1.720985
C 1.853419 -0.332282 0.329418
C 4.874425 -1.456536 1.032542
C 3.146570 0.790906 -2.477277
H -3.451611 1.152944 1.193363
H -4.470212 0.129612 2.206467
H -2.725281 0.110648 2.424239
H -4.633763 -1.728139 -1.044601
H -4.712035 0.021125 -0.848594
H -5.582766 -1.032585 0.272005
H -2.492234 -2.397394 2.027156
H -4.243548 -2.552025 1.904592
H -3.212099 -3.155292 0.604621
H -0.681179 -1.348624 1.296068
H -0.885812 0.436844 1.074216
H 5.054745 0.399573 -0.106725
H 4.108378 0.550378 1.401822
H 4.252360 -0.992857 -1.888878
H 2.513752 -1.269085 -2.113249
H 4.160961 -1.955130 1.708241
H 5.092443 -2.152841 0.216846
H 5.798380 -1.301879 1.601691
H 2.156716 1.254648 -2.350481
H 3.887936 1.523117 -2.137215
H 3.294460 0.638918 -3.553013


%chk=000186266-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186266

0 1
S 0.243495 0.305641 -1.237323
S 1.042357 0.570683 1.811988
O -2.682531 0.605499 -2.595290
N -2.453100 -0.075645 -0.466151
N 2.654066 -0.358497 -0.186823
N -3.151454 -0.159438 -1.669866
C -2.856410 -1.027013 0.639923
C -3.094752 -0.214586 1.941404
C -4.161728 -1.755573 0.240037
C -1.715933 -2.059085 0.849940
C -1.350652 0.864983 -0.347305
C 3.759824 -0.498018 0.803932
C 2.989840 -0.769958 -1.580355
C 1.434232 0.127631 0.197617
C 3.746814 -1.872898 1.502131
C 3.576635 0.383874 -2.420756
H -3.842563 0.581416 1.776496
H -3.480354 -0.893495 2.722437
H -2.163839 0.237679 2.326624
H -4.033471 -2.357221 -0.673568
H -4.987378 -1.046100 0.062946
H -4.443789 -2.427126 1.070865
H -0.774661 -1.564120 1.146255
H -2.002988 -2.757568 1.656660
H -1.541349 -2.640066 -0.072322
H -1.052792 1.020324 0.703924
H -1.614780 1.806246 -0.851460
H 4.708301 -0.343340 0.256829
H 3.650642 0.306138 1.551026
H 3.717103 -1.598796 -1.502581
H 2.084210 -1.177640 -2.062617
H 2.814016 -1.996831 2.077427
H 3.827786 -2.699767 0.773075
H 4.599300 -1.947537 2.201306
H 2.842207 1.198748 -2.534622
H 4.488539 0.797276 -1.953261
H 3.844461 0.016282 -3.427844


