%chk=000206307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206307

0 1
O 0.447315 1.216818 1.703099
O -2.217878 -1.792428 2.340021
O 3.168362 0.833879 0.922352
O 3.621670 -1.034241 -1.310593
N -3.712341 3.160512 -2.263741
C -1.654948 -0.205026 0.661941
C -0.265505 -0.405048 0.116026
C 0.032527 -1.268464 -0.960956
C -1.051579 -2.033535 -1.671358
C -1.690064 -3.098064 -0.769796
C -2.772915 -2.534895 0.153609
C -2.214099 -1.546633 1.154750
C -2.597376 0.499640 -0.326275
C 0.793661 0.298834 0.720424
C 1.351485 -1.434134 -1.386015
C -2.147319 1.949755 -0.564900
C 2.128523 0.165540 0.284735
C 2.404620 -0.728749 -0.770673
C -3.019594 2.623883 -1.510057
C 1.046110 0.963120 3.007459
C 3.151651 2.272792 0.689269
C 4.811021 -0.433011 -0.732566
H -1.573629 0.449985 1.584067
H -1.827364 -1.318651 -2.036503
H -0.652667 -2.518498 -2.586375
H -2.137196 -3.892948 -1.401022
H -0.905965 -3.602308 -0.166668
H -3.254553 -3.370493 0.709138
H -3.586678 -2.067568 -0.434178
H -2.620834 -0.050219 -1.294775
H -3.633555 0.487392 0.066507
H 1.598948 -2.113559 -2.201570
H -1.093681 1.965326 -0.937883
H -2.119751 2.512008 0.399420
H 0.607847 0.050273 3.423946
H 0.742924 1.848533 3.575346
H 2.136471 0.884531 2.924546
H 3.293311 2.479576 -0.373796
H 4.004822 2.611994 1.284929
H 2.211056 2.700781 1.054108
H 5.608389 -0.979727 -1.249136
H 4.837475 -0.597570 0.350867
H 4.830903 0.634694 -0.965123


%chk=000206307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206307

0 1
O 0.512112 1.293938 1.690717
O -2.066201 -1.839019 2.401222
O 3.167092 1.053462 0.800183
O 3.707307 -0.848558 -1.425257
N -3.818641 3.365544 -2.112634
C -1.661988 -0.196785 0.661296
C -0.255571 -0.377103 0.075281
C 0.055838 -1.268037 -0.999497
C -0.991165 -2.147624 -1.683754
C -1.712606 -3.162720 -0.757423
C -2.784696 -2.546355 0.190414
C -2.184458 -1.553627 1.177356
C -2.646838 0.550042 -0.283901
C 0.804619 0.366585 0.656360
C 1.394333 -1.382314 -1.428821
C -2.155369 2.003573 -0.536801
C 2.149026 0.275953 0.196905
C 2.450706 -0.635835 -0.849941
C -3.068783 2.763511 -1.405274
C 0.932295 0.832940 3.040252
C 3.069741 2.507073 0.519380
C 4.937198 -0.647532 -0.632844
H -1.545451 0.428189 1.564599
H -1.755669 -1.527232 -2.193215
H -0.484884 -2.717427 -2.484089
H -2.227940 -3.909875 -1.391376
H -0.963650 -3.711055 -0.155262
H -3.270329 -3.349700 0.771486
H -3.557860 -2.047557 -0.426141
H -2.757571 0.035147 -1.253411
H -3.649148 0.583952 0.184640
H 1.658840 -2.070603 -2.238101
H -1.151773 1.982214 -1.002258
H -2.043078 2.536285 0.426638
H 0.365832 -0.075485 3.319421
H 0.685469 1.659082 3.724481
H 2.018563 0.634382 3.052641
H 3.161822 2.694406 -0.567497
H 3.914954 2.965852 1.055161
H 2.112294 2.905443 0.897532
H 5.719416 -1.164781 -1.210519
H 4.839252 -1.096511 0.371215
H 5.176560 0.422261 -0.526565


