%chk=000220697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220697

0 1
S 4.354947 -1.931561 -0.001274
O -7.138960 -0.572056 -0.000929
N 3.068347 0.388295 0.000591
N -5.631218 1.175570 0.000005
N 1.652952 -1.626996 -0.001259
N 0.464880 -0.939615 -0.000799
C 5.316268 -0.471930 0.000075
C 4.460750 0.667169 0.000968
C -1.929882 -0.884814 -0.001100
C -4.404173 0.441997 -0.000374
C 2.838924 -0.904491 -0.000542
C 6.698460 -0.343935 0.000323
C 5.013754 1.955873 0.002131
C -4.363001 -0.964046 -0.001457
C -3.203921 1.185596 0.000361
C -3.132453 -1.615289 -0.001813
C -1.980590 0.521552 -0.000008
C 7.237185 0.946431 0.001485
C 6.403205 2.077778 0.002375
C -0.652704 -1.618092 -0.001525
C -6.935341 0.623977 -0.000261
C -8.025464 1.659467 0.000311
H 7.347155 -1.218149 -0.000364
H 4.360547 2.827755 0.002816
H -5.292103 -1.545620 -0.001997
H -3.220848 2.272886 0.001222
H -3.111487 -2.705580 -0.002655
H -1.048708 1.097194 0.000566
H 8.317984 1.078158 0.001705
H 6.853417 3.071077 0.003273
H -0.741475 -2.715107 -0.002529
H -5.534431 2.193224 0.000570
H 1.698785 -2.652461 -0.002174
H -7.997305 2.302626 0.889858
H -9.010597 1.160964 -0.000061
H -7.997200 2.303750 -0.888415


%chk=000220697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220697

0 1
S 4.409564 -2.039484 -0.001093
O -7.294347 -0.640442 -0.001487
N 3.141477 0.372731 0.000436
N -5.728562 1.111610 0.000061
N 1.670956 -1.552603 -0.001170
N 0.494233 -0.826790 -0.000790
C 5.389413 -0.506193 0.000171
C 4.524588 0.640707 0.000850
C -1.930834 -0.841956 -0.001116
C -4.491707 0.412454 -0.000390
C 2.899268 -0.915921 -0.000521
C 6.789334 -0.379457 0.000502
C 5.095833 1.934907 0.001873
C -4.397791 -1.005368 -0.001582
C -3.298050 1.193349 0.000414
C -3.126747 -1.610119 -0.001922
C -2.039290 0.579794 0.000059
C 7.340316 0.924335 0.001533
C 6.499643 2.067765 0.002208
C -0.632736 -1.515888 -0.001485
C -7.031484 0.596694 -0.000444
C -8.115817 1.675240 0.000397
H 7.442309 -1.257536 -0.000015
H 4.434255 2.805992 0.002386
H -5.310866 -1.602262 -0.002210
H -3.366228 2.289399 0.001325
H -3.063558 -2.705673 -0.002831
H -1.122218 1.176903 0.000680
H 8.428654 1.046143 0.001807
H 6.947223 3.067376 0.003003
H -0.645870 -2.625914 -0.002348
H -5.651822 2.132130 0.000893
H 1.658103 -2.583094 -0.001921
H -8.041646 2.319022 0.896566
H -9.098497 1.183039 -0.000201
H -8.041398 2.320710 -0.894537


