%chk=000212124.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212124

0 1
S 1.296930 3.562146 -0.009082
O -1.881403 -1.456551 1.037867
O -3.606371 -2.316177 -1.165413
N -0.807947 2.409476 1.322396
N 1.082829 1.031410 0.612513
C -2.604411 0.798638 0.641135
C -1.661273 1.259508 1.724327
C -2.653358 -0.564489 0.300441
C -3.449545 1.696955 -0.025770
C -3.540567 -1.014526 -0.703845
C 0.396449 2.167086 0.686464
C -4.304852 1.251743 -1.037772
C -4.360507 -0.100078 -1.380860
C 2.351087 1.229884 0.008033
C 3.232055 0.059361 -0.139444
C 2.628391 2.510389 -0.386649
C 4.050575 -0.063386 -1.274902
C 3.261135 -0.934906 0.852949
C 4.895284 -1.167960 -1.408660
C 4.110435 -2.034888 0.712695
C -0.698287 -1.921671 0.321332
C 4.928445 -2.152644 -0.415830
C -3.787199 -3.339186 -0.148212
H -2.239868 1.578129 2.624549
H -1.010967 0.405634 2.058527
H -1.334933 3.220154 0.987285
H -3.444633 2.750922 0.242672
H -4.943467 1.964872 -1.559026
H -5.026547 -0.461557 -2.162962
H 3.521063 2.884689 -0.852734
H 4.021018 0.696937 -2.054138
H 2.616790 -0.841917 1.729269
H 5.528426 -1.261865 -2.289380
H 4.135270 -2.801801 1.485100
H -0.266242 -2.634103 1.030128
H -0.019338 -1.075980 0.149349
H -0.989508 -2.401979 -0.616509
H 5.589688 -3.010757 -0.522052
H -3.045455 -3.240939 0.653373
H -3.641377 -4.259952 -0.723230
H -4.805214 -3.268520 0.243970


%chk=000212124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212124

0 1
S 1.346543 3.671968 -0.267363
O -1.687876 -1.429794 0.827744
O -3.662028 -2.378847 -1.068175
N -0.778939 2.435705 1.085888
N 1.153396 1.111281 0.532825
C -2.654687 0.809196 0.677867
C -1.590800 1.331942 1.643379
C -2.650396 -0.552023 0.277771
C -3.653514 1.671940 0.159683
C -3.643728 -1.037619 -0.625292
C 0.465481 2.240681 0.538980
C -4.612435 1.201701 -0.762339
C -4.607850 -0.155343 -1.154841
C 2.419751 1.251630 -0.082876
C 3.319424 0.078196 -0.144624
C 2.704110 2.521508 -0.564842
C 4.468866 0.057071 -0.981887
C 3.038917 -1.063769 0.655112
C 5.319968 -1.066505 -1.005870
C 3.891670 -2.187429 0.629200
C -0.667112 -1.907315 -0.145185
C 5.037544 -2.195501 -0.199760
C -3.862618 -3.397290 -0.010298
H -2.071703 1.703289 2.568529
H -0.906025 0.515083 1.915822
H -1.218215 3.347531 0.967164
H -3.677878 2.723083 0.474586
H -5.370379 1.882070 -1.164706
H -5.346952 -0.554484 -1.856626
H 3.609390 2.888965 -1.041200
H 4.690701 0.913326 -1.628915
H 2.154318 -1.041377 1.299208
H 6.200308 -1.066537 -1.658606
H 3.664658 -3.055787 1.258236
H -0.081003 -2.666591 0.395036
H -0.013861 -1.064475 -0.430243
H -1.155409 -2.353449 -1.029991
H 5.699766 -3.068135 -0.221379
H -3.083937 -3.318083 0.768275
H -3.800423 -4.367154 -0.526730
H -4.864438 -3.276556 0.444346


