%chk=000225462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225462

0 1
S -1.313793 -1.463382 -0.061781
O -1.578088 -1.673770 -1.662684
O -1.656260 -2.627327 1.028103
O 5.281487 0.550702 -1.626721
N -2.201479 0.040156 0.613998
N 4.538308 0.074515 0.579528
C -2.631551 1.044534 -0.414340
C -3.908029 0.639985 -1.202607
C -2.838514 2.394650 0.326870
C -5.169447 0.631676 -0.305464
C -4.101425 2.382046 1.221815
C -5.362417 1.989200 0.413368
C 0.483971 -0.957172 0.115460
C 1.211159 -0.645967 -1.042559
C 1.050134 -0.950486 1.401638
C 2.571827 -0.293491 -0.920296
C 2.406208 -0.600636 1.521786
C 3.175070 -0.265779 0.369203
C 5.511291 0.457035 -0.365801
C 6.872705 0.770223 0.256837
H -1.784582 1.150919 -1.119291
H -3.745629 -0.342310 -1.682008
H -4.051359 1.378831 -2.017182
H -2.944087 3.186773 -0.442266
H -1.936556 2.621865 0.923063
H -5.097495 -0.179491 0.451087
H -6.057226 0.390264 -0.920030
H -4.238203 3.378478 1.683398
H -3.957766 1.668017 2.058501
H -5.565086 2.773883 -0.344962
H -6.246470 1.949787 1.078517
H -3.000466 -0.380221 1.129758
H 0.726434 -0.698736 -2.022946
H 0.453010 -1.224481 2.276340
H 3.170287 -0.046169 -1.797573
H 2.873437 -0.588914 2.514361
H 4.852387 0.037483 1.552317
H 6.834448 1.719309 0.823523
H 7.610227 0.878452 -0.551003
H 7.208436 -0.027854 0.944146


%chk=000225462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225462

0 1
S -1.307239 -1.458680 -0.102664
O -1.563815 -1.633822 -1.708950
O -1.649125 -2.647475 0.960230
O 5.260945 0.625614 -1.571190
N -2.202640 0.027548 0.601114
N 4.535125 0.083817 0.596003
C -2.635488 1.049458 -0.408533
C -3.910498 0.655447 -1.204331
C -2.846106 2.385408 0.356933
C -5.172525 0.628892 -0.308499
C -4.110056 2.354885 1.249870
C -5.369208 1.973531 0.433222
C 0.488709 -0.951682 0.093833
C 1.216509 -0.599833 -1.052425
C 1.052106 -0.984190 1.380918
C 2.575062 -0.245173 -0.915874
C 2.406238 -0.632186 1.514648
C 3.174139 -0.256716 0.374373
C 5.498692 0.492898 -0.336752
C 6.879238 0.763509 0.255141
H -1.788867 1.171193 -1.111416
H -3.745350 -0.318139 -1.700350
H -4.054914 1.407492 -2.006567
H -2.952157 3.190927 -0.398124
H -1.945242 2.603637 0.958102
H -5.099262 -0.194669 0.434478
H -6.059281 0.395811 -0.927719
H -4.249338 3.343112 1.728050
H -3.966374 1.627220 2.074839
H -5.572507 2.770639 -0.311896
H -6.254022 1.920965 1.096432
H -3.000779 -0.406231 1.106993
H 0.734088 -0.623458 -2.035077
H 0.454515 -1.289676 2.244825
H 3.175411 0.034505 -1.782758
H 2.872330 -0.650573 2.507668
H 4.850380 0.017796 1.566317
H 7.197120 1.780352 -0.030885
H 7.603649 0.059358 -0.189999
H 6.925437 0.671090 1.354124


