%chk=000218016.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218016

0 1
S -2.122542 -0.558580 -1.656193
S -0.485577 -2.536315 1.435295
N 1.690743 0.087576 -0.321910
N 4.010957 1.525908 0.696817
C 1.697112 1.585505 -0.184197
C 2.566135 -0.499556 0.746340
C 0.266222 -0.429549 -0.270343
C 3.133768 2.110554 -0.370408
C 4.005125 0.030267 0.581046
C -0.365676 -0.102136 -1.636847
C 0.234617 -1.904339 -0.033694
C 5.402938 2.052866 0.574408
C 0.689448 -2.934062 -0.800014
C 0.458681 -4.237211 -0.213948
C -0.163583 -4.191132 0.993440
C -2.863219 0.688204 -0.648473
C -2.972137 1.998962 -1.117052
C -3.387544 0.311537 0.589238
C -3.615450 2.954180 -0.323002
C -4.034879 1.272347 1.374478
C -4.145714 2.590836 0.920313
H 1.300572 1.926600 0.798045
H 1.045184 2.018032 -0.974259
H 2.582485 -1.605098 0.630147
H 2.198731 -0.276952 1.771840
H -0.319883 0.095068 0.537571
H 3.487377 1.879585 -1.398833
H 3.137669 3.215403 -0.257523
H 4.638327 -0.382078 1.395409
H 4.426301 -0.330945 -0.382463
H 0.125202 -0.676343 -2.449603
H -0.233337 0.966089 -1.894325
H 5.384224 3.146564 0.706595
H 5.905432 1.827060 -0.377440
H 6.013319 1.641984 1.394785
H 1.185113 -2.818901 -1.754973
H 0.765703 -5.142819 -0.720153
H -0.450706 -5.003977 1.635958
H -2.572293 2.277818 -2.091534
H -3.299113 -0.717582 0.942644
H -3.708201 3.979944 -0.675369
H -4.451337 0.991611 2.340521
H -4.648094 3.336477 1.534767


%chk=000218016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218016

0 1
S -2.261278 -0.669303 -1.655636
S -0.271743 -2.763805 1.555418
N 1.628968 0.042545 -0.245974
N 3.947587 1.528055 0.692694
C 1.562903 1.507248 0.023755
C 2.616548 -0.570987 0.684677
C 0.256331 -0.584031 -0.250152
C 2.940226 2.153745 -0.193470
C 3.999026 0.064364 0.465577
C -0.405873 -0.265718 -1.616222
C 0.293947 -2.078084 -0.019922
C 5.271935 2.165932 0.581881
C 0.730601 -3.094319 -0.858400
C 0.634469 -4.415810 -0.286266
C 0.119740 -4.423254 1.000244
C -2.910681 0.751240 -0.666668
C -2.862108 2.070827 -1.178125
C -3.510202 0.499960 0.590740
C -3.397459 3.139480 -0.422984
C -4.059756 1.570506 1.335096
C -3.999359 2.891454 0.833743
H 1.233090 1.704354 1.073977
H 0.831082 1.981974 -0.653470
H 2.677765 -1.653464 0.488775
H 2.320492 -0.426819 1.752646
H -0.372722 -0.125042 0.552306
H 3.218620 2.050696 -1.274308
H 2.880132 3.233140 0.043253
H 4.720136 -0.378339 1.178518
H 4.343857 -0.178274 -0.572838
H 0.041486 -0.870584 -2.420480
H -0.294131 0.797719 -1.877631
H 5.188691 3.241488 0.821883
H 5.726336 2.073723 -0.438125
H 5.967487 1.706987 1.307516
H 1.120186 -2.904082 -1.861899
H 0.933385 -5.325447 -0.812954
H -0.072152 -5.266218 1.661537
H -2.428333 2.255108 -2.167549
H -3.541269 -0.523816 0.977956
H -3.358371 4.159166 -0.822467
H -4.525960 1.371532 2.306568
H -4.421527 3.719557 1.413882


