%chk=000229256.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229256

0 1
O 4.185900 0.174304 0.574427
O -4.186527 -0.173638 0.574074
O 2.523737 1.445772 -0.261433
O -2.524276 -1.444826 -0.262033
N 0.242188 -2.159993 0.243913
N -0.242785 2.160781 0.244760
C -0.000274 0.000639 -1.021712
C 0.759112 -0.950851 -0.167101
C -0.759690 0.951803 -0.166757
C 2.069732 -0.822944 0.356348
C -2.070335 0.823678 0.356593
C 2.344785 -2.025573 1.096549
C -2.345413 2.026004 1.097276
C 1.207383 -2.830602 1.022693
C -1.208011 2.831078 1.023771
C 3.590741 -2.342867 1.820203
C -3.591375 2.343019 1.821048
C 2.880628 0.357248 0.175392
C -2.881213 -0.356456 0.175124
C 5.109536 1.297410 0.415208
C -5.110155 -1.296668 0.414363
C 5.571958 1.377917 -1.025148
C -5.571997 -1.377099 -1.026188
H 0.708343 0.544170 -1.696059
H -0.708871 -0.542628 -1.696290
H -0.709510 -2.476127 0.067060
H 0.708927 2.476982 0.068087
H 1.026093 -3.795929 1.452247
H -1.026769 3.796251 1.453689
H 4.462277 -1.846810 1.355664
H 3.796851 -3.420375 1.847509
H 3.544864 -1.985209 2.860472
H -4.462889 1.847024 1.356404
H -3.797563 3.420507 1.848627
H -3.545436 1.985114 2.861227
H 5.912318 1.004960 1.115878
H 4.607675 2.221516 0.752712
H -4.608475 -2.220806 0.752044
H -5.913220 -1.004210 1.114712
H 6.384779 2.102221 -1.147626
H 5.928650 0.405071 -1.387477
H 4.748225 1.685889 -1.686594
H -4.748090 -1.685386 -1.687272
H -5.928199 -0.404143 -1.388716
H -6.385027 -2.101115 -1.148967


%chk=000229256-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229256

0 1
O 4.233923 0.168930 0.591433
O -4.234714 -0.167186 0.589619
O 2.512309 1.482897 -0.268882
O -2.514091 -1.482222 -0.270940
N 0.281524 -2.173045 0.110980
N -0.280178 2.171732 0.112447
C 0.000451 -0.000167 -1.119567
C 0.799785 -0.956803 -0.271213
C -0.799130 0.956224 -0.271165
C 2.102496 -0.853023 0.284547
C -2.102570 0.853250 0.283103
C 2.365625 -2.087575 1.018962
C -2.365079 2.087257 1.018648
C 1.212476 -2.866422 0.897393
C -1.211158 2.865215 0.898723
C 3.606899 -2.475471 1.779761
C -3.606595 2.475541 1.778854
C 2.913607 0.351277 0.160354
C -2.915034 -0.349906 0.156810
C 5.129018 1.361684 0.524211
C -5.130358 -1.359591 0.523261
C 5.765938 1.489649 -0.862973
C -5.769265 -1.486833 -0.863073
H 0.690102 0.571850 -1.762695
H -0.688707 -0.571711 -1.763640
H -0.706192 -2.402689 -0.065522
H 0.707908 2.400641 -0.062754
H 0.992875 -3.849285 1.307955
H -0.990974 3.847453 1.310463
H 4.487078 -2.527039 1.114459
H 3.475876 -3.459224 2.264316
H 3.850420 -1.732439 2.560379
H -4.486219 2.528449 1.112924
H -3.475087 3.458753 2.264373
H -3.851352 1.732037 2.558634
H 5.881285 1.164023 1.305296
H 4.541970 2.261655 0.778232
H -4.543315 -2.259881 0.776159
H -5.881457 -1.161898 1.305460
H 6.496256 2.320442 -0.864675
H 6.297233 0.562200 -1.138192
H 4.998447 1.701974 -1.625631
H -5.002931 -1.699235 -1.626870
H -6.300556 -0.559070 -1.137244
H -6.499938 -2.317315 -0.864020


