%chk=000247032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247032

0 1
S 4.516274 -1.035070 -0.990669
O 0.823060 -0.396998 2.241583
O 0.659587 1.894107 -1.998065
N -0.699484 1.373478 0.612880
N 2.375040 0.514445 -1.431088
N 2.473054 -0.617079 0.687472
C -1.908638 0.692287 0.233438
C 0.543471 0.813416 0.157906
C -1.932570 -0.693344 0.007460
C -3.157389 -1.339613 -0.214722
C -3.106822 1.437425 0.224934
C 1.086704 1.155463 -1.139479
C -4.351321 -0.602059 -0.213107
C 1.246761 -0.033126 1.016148
C -4.315072 0.778098 0.004316
C -3.177905 -2.813216 -0.464931
C 2.978240 -0.325056 -0.510784
C 4.999951 -2.039590 0.417105
H -0.730206 2.386615 0.431649
H -1.010019 -1.266602 -0.007804
H -3.094589 2.511133 0.386543
H -5.301486 -1.098582 -0.385878
H -5.244189 1.348812 -0.002025
H 2.802627 0.711812 -2.343842
H -2.817401 -3.039680 -1.479636
H -2.530733 -3.356569 0.237360
H -4.183362 -3.244379 -0.375981
H -0.064604 0.051799 2.461136
H 5.966254 -2.508565 0.187864
H 4.262038 -2.827495 0.635276
H 5.102125 -1.440669 1.336040


%chk=000247032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247032

0 1
S 4.984051 -0.622684 -0.515585
O 0.328044 -0.965121 1.416032
O 1.247316 2.540426 -1.841563
N -0.693012 1.306779 -0.337008
N 2.877445 0.997255 -1.143200
N 2.389233 -0.734822 0.403370
C -1.919383 0.646712 -0.120090
C 0.598582 0.753851 -0.343438
C -2.047317 -0.767840 -0.247019
C -3.289182 -1.414115 -0.002197
C -3.065089 1.419506 0.226441
C 1.548545 1.499984 -1.169881
C -4.409055 -0.632482 0.367522
C 1.084559 -0.288516 0.471574
C -4.293387 0.777152 0.459237
C -3.407411 -2.917781 -0.180072
C 3.242190 -0.102994 -0.380835
C 4.966672 -2.042439 0.716702
H -0.718918 2.257876 -0.724521
H -1.217453 -1.354280 -0.659808
H -2.974554 2.506956 0.328258
H -5.370273 -1.118683 0.567261
H -5.169391 1.376876 0.730881
H 3.559470 1.498938 -1.721374
H -3.419194 -3.189390 -1.253243
H -2.555355 -3.449440 0.280765
H -4.337359 -3.304416 0.270430
H -0.651542 -0.785510 1.310738
H 5.994640 -2.436137 0.720531
H 4.247194 -2.802940 0.385405
H 4.679332 -1.661521 1.705785


