%chk=000198079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198079

0 1
S 1.757143 0.033480 -1.050168
O -0.272122 3.296650 -1.349630
O 1.173101 -2.530109 0.067615
O 1.124065 2.549435 0.140276
O -0.206487 -3.255681 -1.448356
O -2.397097 -3.198346 0.911158
O -3.609260 2.811851 -0.831815
O -3.568798 -2.847210 -0.891126
O -2.478132 3.117009 1.004536
O -4.930978 -0.018925 -0.876108
O -4.566336 -0.079558 1.270505
O 3.513093 0.062331 -1.868100
O 5.613839 0.073978 -1.294298
N 0.138891 2.481726 -0.556762
N 0.187738 -2.459133 -0.628730
N -2.741063 -2.567448 -0.061933
N -2.792813 2.516253 0.002733
N -4.237966 -0.042711 0.106194
N 4.444877 0.058366 -0.995213
C 0.034747 0.009544 -0.558293
C -0.667699 1.209004 -0.429095
C -0.643536 -1.206830 -0.462589
C -2.025431 -1.232391 -0.236623
C -2.050113 1.200690 -0.205070
C -2.731318 -0.024077 -0.125743
C 2.575178 0.018024 0.530876
C 3.973677 0.033690 0.371366
C 2.008823 -0.006083 1.802873
C 4.831920 0.025344 1.489337
C 2.860897 -0.014309 2.910316
C 4.260999 0.001265 2.755666
H 0.928107 -0.018461 1.943376
H 5.916351 0.037763 1.343969
H 2.434415 -0.033209 3.917907
H 4.899586 -0.005722 3.641650


%chk=000198079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198079

0 1
S 1.742842 0.039730 -1.194658
O -0.304853 3.248227 -1.480650
O 0.908287 -2.741716 0.362454
O 0.846416 2.757804 0.440984
O -0.234396 -3.204032 -1.571247
O -2.208846 -3.404968 0.710900
O -3.998185 2.648427 -0.545958
O -3.944547 -2.707799 -0.610972
O -2.287292 3.338040 0.811769
O -5.057184 -0.038006 -1.007036
O -4.721034 -0.062159 1.263780
O 4.115434 0.072449 -2.046931
O 6.134769 0.067427 -0.987792
N -0.014758 2.511617 -0.472629
N 0.040509 -2.489651 -0.543250
N -2.812006 -2.548855 -0.033974
N -2.867565 2.493817 0.035705
N -4.332055 -0.044096 0.037963
N 4.850647 0.059087 -0.968104
C -0.003322 0.010837 -0.513896
C -0.744813 1.205262 -0.372945
C -0.718308 -1.203094 -0.406654
C -2.117144 -1.234453 -0.219403
C -2.144044 1.200521 -0.185837
C -2.839989 -0.025470 -0.154781
C 2.723613 0.023461 0.374891
C 4.144992 0.034352 0.320361
C 2.113383 0.000199 1.648828
C 4.934802 0.021915 1.495227
C 2.894301 -0.012158 2.821056
C 4.308383 -0.001494 2.750549
H 1.025287 -0.008352 1.739617
H 6.022566 0.030995 1.385340
H 2.392946 -0.030265 3.793864
H 4.909463 -0.011399 3.664128


