%chk=000206268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206268

0 1
S 0.755681 -1.115640 -0.491827
O 0.544016 -0.704967 -1.862103
O 0.238817 -2.400770 -0.058212
N -0.000013 0.065993 0.534705
N 1.447180 1.984282 0.051529
C -1.331013 -0.347447 1.069229
C -2.463524 -0.098211 0.061244
C -3.809178 -0.570640 0.622410
C 0.415826 1.432046 0.612506
C 2.422904 -1.004301 -0.086761
C -4.949567 -0.304328 -0.369397
C 3.120250 0.187364 -0.327288
C 2.383268 1.377512 -0.895608
C -0.386911 2.358884 1.517389
C -6.300010 -0.776419 0.187578
C 3.083375 -2.111751 0.455913
C 4.487880 0.262907 -0.030120
C -1.424869 3.135808 0.715426
C -7.438161 -0.513286 -0.795868
C 4.445749 -2.035997 0.752160
C 5.144831 -0.847691 0.506062
H -1.280380 -1.433431 1.335141
H -1.532962 0.193780 2.023339
H -2.250637 -0.614547 -0.897041
H -2.510913 0.986326 -0.192915
H -3.760194 -1.653878 0.852700
H -4.021264 -0.063971 1.583393
H -4.740931 -0.816062 -1.329505
H -4.999351 0.774596 -0.610763
H 3.097435 2.199201 -1.159642
H 1.884066 1.108076 -1.867242
H -0.869693 1.788927 2.339552
H 0.312869 3.069816 2.013536
H -6.252388 -1.858175 0.422007
H -6.511085 -0.267470 1.148194
H 2.529799 -3.039469 0.647493
H 5.034744 1.188222 -0.207603
H -2.009741 3.800324 1.360331
H -2.129467 2.458625 0.200550
H -0.946300 3.756472 -0.055127
H -7.538406 0.554170 -1.022451
H -7.278404 -1.035414 -1.746461
H -8.397672 -0.854977 -0.391992
H 4.962053 -2.896998 1.173176
H 6.209788 -0.787386 0.737365


%chk=000206268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206268

0 1
S 0.627532 -1.084019 -0.554805
O 0.349862 -0.748041 -2.122652
O 0.016800 -2.463350 0.055346
N -0.049390 0.288500 0.580787
N 1.613154 2.070525 0.094820
C -1.396862 -0.105367 1.069039
C -2.505080 -0.057536 -0.008404
C -3.884073 -0.423529 0.584548
C 0.554722 1.572033 0.687967
C 2.461382 -1.018133 -0.133252
C -5.005973 -0.457553 -0.477373
C 3.149750 0.174929 -0.426156
C 2.410698 1.395170 -0.960417
C -0.107425 2.517028 1.710482
C -6.384810 -0.838391 0.108607
C 3.033574 -2.171295 0.419403
C 4.532713 0.183071 -0.118773
C -1.305823 3.316596 1.144284
C -7.500744 -0.880024 -0.957356
C 4.417825 -2.130846 0.708274
C 5.159516 -0.957451 0.435477
H -1.322368 -1.134174 1.469600
H -1.651337 0.558043 1.912484
H -2.256351 -0.767421 -0.820877
H -2.540480 0.949377 -0.467788
H -3.819283 -1.417174 1.075198
H -4.155177 0.302861 1.380430
H -4.733585 -1.181983 -1.272405
H -5.078504 0.533577 -0.971871
H 3.150522 2.130960 -1.317208
H 1.780661 1.100428 -1.826435
H -0.396402 1.971311 2.627540
H 0.694119 3.222474 1.982664
H -6.307787 -1.827887 0.603916
H -6.657273 -0.113413 0.903090
H 2.419570 -3.055604 0.616724
H 5.111423 1.092287 -0.315599
H -1.639555 4.067890 1.882891
H -2.170376 2.674592 0.902613
H -1.005624 3.849711 0.225413
H -7.616325 0.104294 -1.449304
H -7.268928 -1.621918 -1.744638
H -8.475779 -1.152490 -0.513116
H 4.907647 -3.008034 1.142642
H 6.231340 -0.929917 0.659193


