%chk=000194018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194018

0 1
O -2.569534 -1.888309 -1.209097
O 0.937144 2.329028 0.180026
O -1.597340 2.627354 0.204539
O 2.573339 -2.148505 0.045128
C -2.211888 -1.510052 0.124684
C -3.260237 -0.559085 0.720365
C -0.809768 -0.916816 0.127120
C -0.633970 0.490438 0.146121
C -3.168867 0.850442 0.144843
C -1.767062 1.405519 0.177399
C 0.689871 1.008818 0.147738
C 1.830156 0.165454 0.121280
C 0.278089 -1.764110 0.095440
C 1.586680 -1.211792 0.085219
C 3.208647 0.759415 0.160975
C 4.089826 0.314051 -1.005176
H -2.235303 -2.496427 0.653350
H -3.141809 -0.527323 1.822692
H -4.271476 -0.977000 0.532682
H -3.851823 1.538610 0.690829
H -3.535125 0.874620 -0.904889
H 0.171484 -2.847882 0.059670
H 3.132082 1.872566 0.155361
H 3.691084 0.509971 1.129440
H -2.507645 -1.123908 -1.819874
H 4.291122 -0.768389 -0.985387
H 5.057561 0.829341 -0.989461
H 3.615173 0.540493 -1.969502
H 0.056454 2.908188 0.202798
H 3.490036 -1.735911 -0.055416


%chk=000194018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194018

0 1
O -2.621712 -1.881769 -1.269092
O 0.996237 2.291741 0.120224
O -1.485307 2.675854 0.046914
O 2.598105 -2.286126 0.331736
C -2.256256 -1.511767 0.128463
C -3.272992 -0.511610 0.711790
C -0.832600 -0.973266 0.191792
C -0.606397 0.445193 0.151545
C -3.137176 0.880443 0.057331
C -1.710049 1.397990 0.089672
C 0.750788 0.940215 0.170363
C 1.861728 0.058432 0.236354
C 0.255270 -1.847686 0.253980
C 1.580102 -1.330260 0.272490
C 3.279664 0.602344 0.227252
C 3.905512 0.623036 -1.195199
H -2.324369 -2.472475 0.665638
H -3.109051 -0.429132 1.804107
H -4.291090 -0.908551 0.554374
H -3.788230 1.629465 0.539624
H -3.459390 0.829186 -1.003487
H 0.113368 -2.931585 0.278332
H 3.256294 1.632321 0.620807
H 3.930352 0.024216 0.919286
H -2.231595 -1.216025 -1.891534
H 3.934181 -0.383686 -1.652526
H 4.937749 1.016121 -1.163153
H 3.312785 1.276065 -1.858410
H 0.061980 2.764475 0.081519
H 3.489000 -1.854361 0.368706


