%chk=000214650.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214650

0 1
O 2.119446 0.481982 -0.002683
O -2.474633 -0.199219 -0.000744
O 3.004422 -3.547574 0.021793
N 5.728371 1.021247 -0.003901
N 4.002984 2.509944 -0.013847
N 6.152726 2.306550 -0.011387
N 5.097806 3.190071 -0.017271
C 1.344162 -1.849478 0.010860
C 1.095364 -0.464821 0.002469
C -1.263488 -0.820254 0.003442
C -0.185342 0.083531 -0.001436
C 0.232738 -2.716681 0.015469
C 2.723752 -2.366842 0.014636
C -1.063545 -2.220494 0.011864
C -3.689588 -1.028092 0.003403
C 3.426700 0.001940 0.000893
C 3.752478 -1.301688 0.008852
C -4.797925 -0.014135 -0.002262
C -5.308759 0.473447 1.209690
C -5.319487 0.448385 -1.219447
C 4.360494 1.126550 -0.005320
C -6.348240 1.407556 1.201395
C -6.359019 1.382481 -1.221214
C -6.875475 1.860565 -0.012406
H -0.350572 1.159998 -0.007987
H 0.418978 -3.797192 0.021993
H -1.903499 -2.906588 0.015501
H -3.679517 -1.654212 0.913313
H -3.678821 -1.664079 -0.899606
H 4.791779 -1.643091 0.011462
H -4.891540 0.132823 2.156493
H -4.910777 0.088283 -2.162730
H -6.744839 1.786063 2.142506
H -6.764046 1.741440 -2.166384
H -7.685326 2.588771 -0.016341
H 7.139838 2.563911 -0.012366


%chk=000214650-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214650

0 1
O 2.238025 0.546656 -0.003761
O -2.476081 -0.051307 -0.003801
O 3.029465 -3.577332 0.022248
N 5.891950 0.852010 -0.001386
N 4.252789 2.478322 -0.013400
N 6.396291 2.117391 -0.008475
N 5.435473 3.131786 -0.015831
C 1.394680 -1.780435 0.009893
C 1.167388 -0.374830 0.000947
C -1.232748 -0.685587 0.001003
C -0.118785 0.183855 -0.003622
C 0.256904 -2.625490 0.014269
C 2.773790 -2.325643 0.014333
C -1.044269 -2.102352 0.010014
C -3.697542 -0.911653 0.002023
C 3.538282 0.041085 0.000675
C 3.828675 -1.303437 0.009115
C -4.900354 -0.001198 -0.002390
C -5.462814 0.450711 1.217473
C -5.475598 0.422201 -1.226449
C 4.543102 1.104905 -0.004625
C -6.579870 1.314801 1.215219
C -6.592835 1.286137 -1.232699
C -7.147243 1.733725 -0.010873
H -0.259933 1.266943 -0.010444
H 0.434936 -3.705901 0.021091
H -1.898756 -2.783596 0.013548
H -3.674843 -1.547938 0.908658
H -3.676499 -1.558582 -0.897048
H 4.872674 -1.626009 0.012079
H -5.020655 0.130204 2.168620
H -5.043369 0.079579 -2.174462
H -7.007051 1.659167 2.163324
H -7.030030 1.608208 -2.184062
H -8.015167 2.402566 -0.014107
H 7.397617 2.312134 -0.008394


