%chk=000218418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218418

0 1
O -1.054545 -1.677327 2.507756
O 0.441959 0.839943 -0.385479
N -1.689841 -0.469030 0.638026
N 0.594023 -0.510077 1.454304
C -3.127761 -0.861568 0.705426
C -3.526288 -1.591250 -0.594039
C -3.998932 0.388194 0.949040
C -3.608637 -0.653166 -1.804033
C -4.075784 1.308953 -0.274444
C -4.527474 0.543384 -1.524949
C -0.792884 -0.930094 1.575190
C 2.647317 0.621699 0.560600
C 1.141653 0.353506 0.489678
C 3.135839 0.932053 1.984601
C 3.410751 -0.569471 -0.046778
C 2.352964 2.043666 2.621706
C 3.160386 -0.723562 -1.520015
C 1.912636 2.004461 3.876902
C 4.007250 -1.344501 -2.338008
H -3.254370 -1.568169 1.573887
H -2.809994 -2.410148 -0.799871
H -4.507634 -2.079279 -0.433105
H -5.017315 0.054755 1.229623
H -3.612778 0.950855 1.820970
H -3.975014 -1.213278 -2.685108
H -2.596085 -0.294945 -2.074902
H -3.089513 1.779155 -0.456665
H -4.773328 2.143034 -0.069689
H -5.569775 0.194273 -1.395436
H -4.538207 1.221787 -2.398497
H -1.401961 0.170328 -0.118456
H 2.830490 1.527252 -0.082385
H 1.193015 -0.877108 2.206289
H 4.207156 1.233359 1.942819
H 3.124271 0.018271 2.612818
H 4.497495 -0.441090 0.145824
H 3.134782 -1.515108 0.468101
H 2.176844 2.908655 1.978346
H 2.219031 -0.299295 -1.883434
H 1.361409 2.815205 4.333859
H 2.058466 1.169898 4.547561
H 3.819037 -1.468620 -3.395273
H 4.946147 -1.777201 -2.026360


%chk=000218418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218418

0 1
O -0.945823 -2.390784 1.861745
O 0.320907 1.186504 -0.022314
N -1.693509 -0.447584 0.763529
N 0.621646 -0.817130 1.141317
C -3.135317 -0.776680 0.821307
C -3.582854 -1.586968 -0.427581
C -3.959687 0.528982 0.952917
C -3.545505 -0.736412 -1.718712
C -3.933402 1.381814 -0.340511
C -4.388974 0.554269 -1.566878
C -0.745227 -1.282757 1.281209
C 2.614291 0.558606 0.594668
C 1.095772 0.342569 0.534500
C 3.069575 0.907647 2.050025
C 3.431974 -0.645967 0.032690
C 2.390012 2.138822 2.612296
C 3.068949 -1.017490 -1.390686
C 1.732357 2.192380 3.796860
C 3.940097 -1.038070 -2.429239
H -3.278701 -1.405286 1.719244
H -2.943407 -2.483998 -0.523696
H -4.618185 -1.943683 -0.250092
H -5.008148 0.244433 1.172418
H -3.592911 1.115173 1.816829
H -3.912847 -1.335931 -2.573731
H -2.495646 -0.463411 -1.950252
H -2.912118 1.776526 -0.521830
H -4.585568 2.266903 -0.212200
H -5.456769 0.277565 -1.441523
H -4.321423 1.166443 -2.486798
H -1.352445 0.417479 0.311893
H 2.796472 1.437059 -0.051088
H 1.290096 -1.466388 1.564707
H 4.166469 1.074297 2.010589
H 2.903419 0.043079 2.722836
H 4.506457 -0.386383 0.087478
H 3.295169 -1.527277 0.697331
H 2.450035 3.044080 1.988817
H 2.017460 -1.290933 -1.568441
H 1.266232 3.118113 4.151665
H 1.636614 1.311697 4.444570
H 3.621671 -1.318689 -3.439253
H 4.997591 -0.774222 -2.300217


