%chk=000203058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203058

0 1
O 0.088744 -1.914790 -0.888568
O -5.589755 0.317621 0.483445
N 2.818871 -0.016362 0.173932
C 1.960674 0.971353 -0.583846
C 0.716451 0.294098 -1.233273
C 1.498641 2.084090 0.385777
C -0.126384 1.363763 -1.951937
C 0.722574 3.164500 -0.374013
C -0.500252 2.568141 -1.079821
C -0.047500 -0.611487 -0.234906
C 3.194666 -1.202926 -0.668264
C 4.068734 0.652186 0.679832
C 3.989571 -2.216325 0.172532
C 4.868281 -0.323318 1.558657
C 5.250607 -1.581592 0.770327
C -1.514700 -0.331813 -0.015240
C -1.938400 0.339747 1.135786
C -2.469162 -0.777505 -0.950811
C -0.142927 -3.040489 -0.023362
C -3.296958 0.593308 1.361730
C -3.822901 -0.543276 -0.750919
C -4.222674 0.149223 0.412031
C -6.126374 1.010151 1.635140
H 2.545497 1.446123 -1.416780
H 1.087145 -0.405830 -2.037586
H 2.367847 2.534960 0.904282
H 0.871066 1.645116 1.184484
H -1.048165 0.899550 -2.354201
H 0.439080 1.718365 -2.836866
H 1.383250 3.656592 -1.113192
H 0.403415 3.959967 0.325105
H -1.256028 2.267167 -0.328104
H -0.990322 3.339011 -1.703895
H 0.489848 -0.659800 0.743210
H 3.776456 -0.917765 -1.569652
H 2.255434 -1.694454 -1.022707
H 3.769531 1.534966 1.289683
H 4.710510 1.031388 -0.144413
H 4.252987 -3.087819 -0.453268
H 3.343528 -2.597889 0.988087
H 4.258433 -0.607193 2.439522
H 5.770331 0.180525 1.948864
H 5.768492 -2.303324 1.427667
H 5.967026 -1.326314 -0.032768
H -1.207531 0.677239 1.871792
H -2.125283 -1.323721 -1.833370
H -0.008544 -3.896959 -0.693098
H -1.161594 -3.015088 0.375764
H 0.596420 -3.055158 0.783544
H -3.606488 1.118818 2.257227
H -4.574874 -0.878315 -1.460530
H -7.203760 0.994149 1.425132
H -5.749714 2.036190 1.671626
H -5.897823 0.458406 2.551314


%chk=000203058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203058

0 1
O 0.228613 -1.887623 -0.535843
O -5.769253 0.137992 0.424558
N 2.837834 -0.068995 0.026716
C 2.021419 0.976222 -0.677736
C 0.684596 0.367543 -1.240609
C 1.721469 2.209162 0.214416
C -0.139256 1.471735 -1.960230
C 0.915136 3.288420 -0.546713
C -0.408796 2.724380 -1.099573
C -0.054373 -0.476416 -0.146935
C 3.353472 -1.089110 -0.931871
C 3.949406 0.463413 0.861369
C 4.063810 -2.254699 -0.215158
C 4.667940 -0.663128 1.634487
C 5.213827 -1.741332 0.676325
C -1.558247 -0.283208 0.019239
C -2.086248 0.348700 1.167243
C -2.473268 -0.776751 -0.951235
C -0.002874 -2.832328 0.556592
C -3.479088 0.519280 1.350859
C -3.860277 -0.622170 -0.788467
C -4.369027 0.034490 0.362001
C -6.343843 0.804985 1.593889
H 2.588927 1.361544 -1.569717
H 0.941682 -0.375237 -2.020108
H 2.663323 2.667418 0.564985
H 1.162429 1.888506 1.118072
H -1.091380 1.046225 -2.325339
H 0.432887 1.782581 -2.860071
H 1.531125 3.670891 -1.387697
H 0.723578 4.148833 0.123876
H -1.083857 2.468054 -0.261035
H -0.929090 3.491362 -1.705871
H 0.444644 -0.292605 0.828908
H 4.068535 -0.614783 -1.657448
H 2.502994 -1.493199 -1.501816
H 3.544910 1.181102 1.593463
H 4.703594 1.011469 0.233411
H 4.439844 -2.968997 -0.973275
H 3.321076 -2.790427 0.407514
H 3.945298 -1.125846 2.335353
H 5.484302 -0.220883 2.238492
H 5.675770 -2.572482 1.242728
H 6.008619 -1.300751 0.038955
H -1.399631 0.714584 1.942019
H -2.082744 -1.310654 -1.824822
H 0.278480 -3.824792 0.168205
H -1.067180 -2.847545 0.868618
H 0.630221 -2.582864 1.434279
H -3.849111 1.012671 2.254833
H -4.570254 -1.001420 -1.530116
H -7.431818 0.780205 1.433804
H -6.001542 1.855940 1.668038
H -6.092608 0.267736 2.529540


