%chk=000197011.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197011

0 1
O 1.663381 -0.339773 -1.077163
O 1.991443 -2.713795 -0.287387
O 3.651875 1.806182 -0.083557
N -3.532144 0.755658 -0.254775
C -0.753177 -0.211712 -0.659378
C -1.658204 -0.754950 0.477530
C -2.603287 0.415385 0.881827
C 0.421415 -1.151305 -1.098321
C -1.615692 0.268775 -1.842599
C 0.022698 0.931341 -0.049779
C -1.897670 1.749566 1.281213
C -3.127049 0.179935 -1.580636
C 0.600501 -2.358455 -0.142593
C -0.473605 1.876007 0.835548
C -0.806320 -1.300374 1.590488
C 1.387352 0.813509 -0.347236
C 0.265734 -2.042206 1.291992
C 0.433135 2.843419 1.312286
C -4.939515 0.361973 0.054664
C 2.293285 1.763009 0.139621
C 1.783090 2.797847 0.955017
C 2.287408 -4.082649 0.047436
C 4.203054 0.655639 -0.780354
H -2.286981 -1.598661 0.095141
H -3.192565 0.082322 1.773765
H 0.378942 -1.480068 -2.153059
H -1.377404 -0.296462 -2.762227
H -1.352169 1.325670 -2.069368
H -1.950514 1.863244 2.381513
H -2.486859 2.598114 0.859959
H -3.662603 0.780408 -2.352173
H -3.462826 -0.873257 -1.706660
H -0.040393 -3.201454 -0.499009
H -1.089769 -1.046499 2.606933
H 0.953793 -2.433451 2.035556
H 0.086008 3.627985 1.980033
H -5.100338 -0.715973 0.200589
H -5.597571 0.702963 -0.761366
H -5.266352 0.891968 0.964234
H 2.480289 3.547899 1.326687
H 2.042378 -4.292575 1.092030
H 3.372551 -4.131055 -0.111122
H 1.767003 -4.766678 -0.628560
H 3.962226 -0.268208 -0.240121
H 5.275452 0.870050 -0.768603
H 3.803391 0.614994 -1.799117


%chk=000197011-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197011

0 1
O 1.729474 -0.310932 -1.035758
O 2.052460 -2.943043 -0.229023
O 3.614573 2.000973 -0.093095
N -3.400007 0.716054 -0.355633
C -0.702953 -0.310347 -0.639435
C -1.644308 -0.884643 0.469057
C -2.635168 0.263071 0.851192
C 0.519568 -1.209594 -1.030573
C -1.558185 0.111161 -1.891720
C 0.005170 0.878755 0.003585
C -1.925773 1.486463 1.510900
C -3.075072 0.038777 -1.622215
C 0.693851 -2.422091 -0.069669
C -0.547620 1.774006 0.929262
C -0.816095 -1.409252 1.629315
C 1.371222 0.859856 -0.316601
C 0.316393 -2.112665 1.370928
C 0.312445 2.802163 1.402799
C -4.837110 0.902275 -0.114358
C 2.237555 1.879661 0.140631
C 1.659142 2.868270 0.985989
C 2.176995 -4.334778 0.207966
C 4.229820 1.126459 -1.109049
H -2.244172 -1.719619 0.047811
H -3.350936 -0.153266 1.596550
H 0.466191 -1.592075 -2.062998
H -1.320875 -0.541074 -2.754180
H -1.292547 1.145102 -2.173579
H -1.807493 1.305193 2.600415
H -2.602062 2.356178 1.406986
H -3.612486 0.561421 -2.436785
H -3.423739 -1.028045 -1.652651
H -0.027856 -3.188367 -0.456118
H -1.123487 -1.180587 2.657647
H 0.974400 -2.476696 2.168664
H -0.060441 3.542036 2.121062
H -5.392948 -0.054636 0.061261
H -5.300889 1.409380 -0.980411
H -4.991317 1.546071 0.770976
H 2.321944 3.659596 1.351000
H 1.974959 -4.454023 1.292605
H 3.218662 -4.624940 -0.000009
H 1.487157 -4.998586 -0.357117
H 4.133327 0.063164 -0.834312
H 5.287768 1.429457 -1.133773
H 3.763860 1.288017 -2.098641


