%chk=000267643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267643

0 1
O -0.787916 0.821341 0.604158
O -1.676121 1.103646 2.655353
O 2.545117 0.724282 2.141014
O 0.150262 -1.526989 0.755294
O 3.130691 -2.454629 2.181072
N 3.852959 0.362338 0.211498
N 5.198613 1.655604 -1.147046
N 2.097798 -0.232996 -1.497090
N 2.577572 0.708631 -3.706340
N 4.471447 2.053802 -4.149669
C -3.061272 0.115356 0.852096
C -5.575584 0.057111 0.875408
C -4.263242 -2.069528 0.523822
C -4.322203 -0.309287 -1.282553
C -4.329165 0.732131 1.488013
C -3.014640 -1.405176 1.140667
C -3.072699 0.361807 -0.672432
C -5.533573 -1.460560 1.157146
C -5.593493 0.297509 -0.650015
C -4.278950 -1.826908 -1.001041
C -1.830887 0.736875 1.514749
C 0.486356 1.322849 1.074778
C 1.136852 0.358486 2.074000
C 1.093618 -1.154840 1.733931
C 2.536377 -1.519408 1.275381
C 3.375048 -0.234789 1.475969
C 3.249520 0.373817 -1.054362
C 5.032056 1.185820 0.088967
C 4.108542 1.170157 -1.891147
C 3.734417 1.323939 -3.259653
C 1.838436 -0.021018 -2.818840
H -6.490502 0.495514 1.332842
H -4.233101 -3.163458 0.726377
H -4.332937 -0.134234 -2.381358
H -4.312375 0.595644 2.585833
H -4.358666 1.822575 1.317232
H -2.979187 -1.591959 2.229142
H -2.085805 -1.846677 0.724167
H -3.068819 1.444365 -0.888923
H -2.151280 -0.043958 -1.130728
H -6.435275 -1.949302 0.749504
H -5.546069 -1.647966 2.245007
H -6.495502 -0.155311 -1.096865
H -5.651263 1.378077 -0.867117
H -5.151388 -2.325174 -1.457813
H -3.385861 -2.277608 -1.467989
H 1.059196 1.420429 0.133927
H 0.337968 2.319058 1.530717
H 0.769131 0.557193 3.109405
H 0.792187 -1.761759 2.620678
H 2.547953 -1.934016 0.243520
H 4.245341 -0.384452 2.167671
H 0.229582 -0.957426 -0.063028
H 2.782377 -3.357354 2.008991
H 5.678557 1.366027 0.938513
H 0.924465 -0.489857 -3.224927
H 5.317706 2.516592 -3.852094
H 4.180234 2.144469 -5.110913


%chk=000267643-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267643

0 1
O -1.655895 0.352410 -0.347101
O -2.101120 1.815263 1.411456
O 1.894560 1.080361 0.521528
O 1.423244 -1.123647 -1.596601
O 2.377214 -1.849515 1.955265
N 4.216026 0.654230 0.220211
N 6.262417 1.662554 -0.071100
N 3.685237 0.174375 -2.171330
N 5.451339 0.928506 -3.689039
N 7.419312 1.988673 -2.927853
C -3.778762 0.090261 0.788259
C -5.976970 -0.100682 2.051143
C -4.807108 -2.198592 1.239505
C -5.899377 -0.629722 -0.426980
C -4.649714 0.692228 1.926265
C -3.476101 -1.412706 1.109314
C -4.569496 0.160107 -0.561095
C -5.666219 -1.586639 2.379121
C -6.759328 -0.018211 0.711990
C -5.588458 -2.115823 -0.100232
C -2.463553 0.860087 0.686017
C -0.311042 0.970636 -0.503284
C 0.676721 0.221913 0.391553
C 1.224159 -1.121523 -0.168649
C 2.564054 -1.261528 0.619785
C 3.007361 0.205987 0.913796
C 4.458919 0.657785 -1.155829
C 5.329351 1.281173 0.815024
C 5.725997 1.277249 -1.314911
C 6.217130 1.406725 -2.647138
C 4.253624 0.347705 -3.404091
H -6.584884 0.340653 2.865300
H -4.577095 -3.257518 1.471587
H -6.449844 -0.566813 -1.386462
H -4.089780 0.662383 2.880196
H -4.854226 1.758730 1.713501
H -2.902530 -1.481362 2.055952
H -2.850144 -1.841580 0.304673
H -4.781578 1.218779 -0.811204
H -3.949484 -0.257100 -1.375749
H -6.609494 -2.157871 2.490567
H -5.123345 -1.656464 3.343359
H -7.720248 -0.564533 0.797017
H -7.002804 1.038044 0.479189
H -6.531921 -2.692668 -0.024686
H -4.991389 -2.567425 -0.917839
H -0.054708 0.836149 -1.564120
H -0.351132 2.034084 -0.213722
H 0.246227 0.071201 1.401945
H 0.534775 -1.954675 0.057798
H 3.309557 -1.828263 0.030092
H 3.201160 0.290535 2.000183
H 2.264253 -0.579065 -1.860351
H 2.060680 -2.782496 1.858574
H 5.392049 1.423740 1.891930
H 3.679388 -0.021457 -4.257980
H 7.995560 2.353652 -2.171793
H 7.720040 2.060505 -3.898057


