%chk=000216370.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216370

0 1
O 0.001655 0.757264 2.196551
N 1.574666 -2.490153 -0.459507
N 0.278713 -2.908662 -0.392459
C 0.415855 0.668299 0.822611
C 0.379993 -0.757580 0.335081
C 1.689197 -1.188087 -0.035016
C 1.928727 0.989416 0.706909
C 2.663144 -0.129066 0.187176
C -0.478938 -1.855488 0.102981
C -0.445020 1.649703 0.063003
C 2.581941 2.158887 1.032485
C 4.031446 -0.061207 -0.000234
C 2.634066 -3.379443 -0.987068
C -1.920686 -1.961230 0.327046
C -0.625316 1.508834 -1.320026
C -1.052474 2.718219 0.737511
C 3.979957 2.227036 0.843150
C 4.687657 1.141347 0.337068
C 3.068763 -2.939614 -2.380577
C -1.402805 2.430628 -2.022394
C -1.832322 3.638707 0.036291
C -2.013286 3.501486 -1.349375
C -2.573256 -1.004934 1.125294
C -2.661084 -3.009541 -0.247571
C -3.949775 -1.098212 1.339749
C -4.037379 -3.095603 -0.026608
C -2.836189 4.494842 -2.104207
C -4.683889 -2.141261 0.765518
H 2.034130 3.014515 1.426897
H 4.593872 -0.902822 -0.393280
H 3.492671 -3.363612 -0.276071
H 2.243167 -4.427347 -1.011306
H 0.439088 0.057531 2.729037
H -0.161906 0.674116 -1.847402
H -0.919228 2.816774 1.817588
H 4.503732 3.147398 1.098061
H 5.765537 1.212967 0.196175
H 2.235623 -2.989482 -3.097119
H 3.868428 -3.584765 -2.764469
H 3.438543 -1.905625 -2.393854
H -1.538595 2.313715 -3.095143
H -2.302270 4.462701 0.568092
H -2.002675 -0.186267 1.577342
H -2.156596 -3.755159 -0.863746
H -4.451287 -0.353757 1.955655
H -4.607011 -3.908227 -0.473036
H -3.635196 4.927753 -1.487773
H -2.210679 5.327546 -2.458170
H -3.317656 4.052254 -2.986373
H -5.756352 -2.209991 0.934716


%chk=000216370-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216370

0 1
O -0.049898 0.796460 2.315667
N 1.578939 -2.449086 -0.469027
N 0.262232 -2.919339 -0.403983
C 0.397949 0.674748 0.904524
C 0.373385 -0.760550 0.389808
C 1.663115 -1.158442 -0.004018
C 1.921241 0.999556 0.776532
C 2.651470 -0.101454 0.221424
C -0.483111 -1.875625 0.129110
C -0.448819 1.676649 0.106036
C 2.580740 2.182261 1.132109
C 4.042759 -0.011699 0.014117
C 2.619871 -3.305497 -1.056640
C -1.930297 -2.045168 0.354875
C -0.628413 1.521380 -1.289748
C -1.008211 2.809616 0.743209
C 3.985434 2.271632 0.935207
C 4.704909 1.187821 0.378838
C 2.893356 -2.972682 -2.537672
C -1.353887 2.477612 -2.029141
C -1.738767 3.760947 -0.003076
C -1.920150 3.618017 -1.401480
C -2.669645 -1.071994 1.081200
C -2.606414 -3.192754 -0.144638
C -4.054897 -1.241364 1.291336
C -3.989365 -3.358150 0.069907
C -2.683382 4.653685 -2.209449
C -4.722297 -2.381674 0.787334
H 2.020547 3.025405 1.549641
H 4.611272 -0.842673 -0.417789
H 3.540082 -3.197645 -0.453988
H 2.261181 -4.342124 -0.951079
H 0.461532 0.137075 2.851131
H -0.212815 0.642691 -1.795698
H -0.891877 2.921084 1.825017
H 4.515229 3.190115 1.210564
H 5.786291 1.276056 0.226273
H 1.975014 -3.100346 -3.135873
H 3.668732 -3.649419 -2.940001
H 3.246202 -1.932862 -2.658390
H -1.491377 2.334218 -3.108287
H -2.177527 4.625715 0.510131
H -2.158698 -0.195002 1.492145
H -2.032112 -3.942144 -0.698556
H -4.612506 -0.482451 1.851841
H -4.498388 -4.246286 -0.322029
H -3.314803 5.287220 -1.562455
H -1.990767 5.324078 -2.755108
H -3.336130 4.176978 -2.963023
H -5.798227 -2.509785 0.952375


