%chk=000212602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212602

0 1
O 0.597389 0.946524 -0.599283
O 2.937323 -0.431944 -0.952282
N -2.966187 0.534952 -0.094781
C -3.902886 1.399630 -0.886477
C -3.581790 -0.793193 0.231047
C -1.652388 0.381959 -0.791270
C -4.951385 2.005073 0.064353
C -2.816909 -1.436761 1.401219
C -0.721472 1.467039 -0.228152
C -5.885715 2.956212 -0.676310
C -3.459367 -2.754212 1.823176
C 1.695455 1.462678 0.030892
C 2.880603 0.692810 -0.123879
C 1.738155 2.650558 0.768129
C 4.083498 1.112297 0.439148
C 2.953388 3.064845 1.329135
C 4.115497 2.309625 1.167042
C 2.139408 -1.530118 -0.643221
C 1.492140 -1.730473 0.580975
C 2.090103 -2.473289 -1.686210
C 0.772869 -2.916233 0.758305
C 1.367931 -3.645698 -1.477478
C 0.707819 -3.870496 -0.260758
H -4.402065 0.852987 -1.714208
H -3.321919 2.221349 -1.358737
H -3.609601 -1.482729 -0.638852
H -4.639619 -0.622508 0.533263
H -1.711301 0.451933 -1.896597
H -1.194395 -0.615772 -0.580924
H -5.535019 1.198523 0.551067
H -4.436463 2.535167 0.890908
H -1.757269 -1.603657 1.118142
H -2.788418 -0.730292 2.255046
H -0.845272 2.448121 -0.709510
H -0.799314 1.553315 0.869027
H -5.340539 3.794186 -1.125679
H -6.430272 2.448790 -1.480655
H -6.632318 3.382583 0.004087
H -4.496294 -2.614624 2.149702
H -3.466793 -3.483322 1.004898
H -2.914226 -3.207426 2.659262
H 0.847986 3.258914 0.897844
H 4.980445 0.508565 0.302088
H 2.985536 3.994029 1.898174
H 5.052679 2.644933 1.606311
H 1.544112 -0.985739 1.369761
H 2.607146 -2.273006 -2.621045
H 0.262417 -3.096252 1.704336
H 1.315064 -4.393555 -2.268334
H 0.147931 -4.789501 -0.111093


%chk=000212602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212602

0 1
O 0.488125 0.569054 -0.214710
O 2.931601 -0.135947 -1.323060
N -3.225417 0.396202 0.100998
C -3.839751 1.370464 -0.838795
C -4.111735 -0.744517 0.446233
C -1.853733 -0.009797 -0.289058
C -4.835761 2.331739 -0.154261
C -3.815432 -1.341725 1.838837
C -0.833436 0.968370 0.308327
C -5.489937 3.305271 -1.158526
C -4.727624 -2.545130 2.161969
C 1.605841 1.289807 0.207358
C 2.859693 0.876061 -0.334288
C 1.574424 2.381555 1.109101
C 4.042405 1.557064 0.003384
C 2.769630 3.057260 1.449180
C 4.004225 2.653113 0.897365
C 2.577619 -1.471622 -1.007133
C 2.441618 -1.951025 0.315197
C 2.423780 -2.334140 -2.115313
C 2.139834 -3.316345 0.519858
C 2.124316 -3.694859 -1.894132
C 1.979020 -4.194176 -0.577039
H -4.350223 0.851749 -1.690072
H -3.027321 1.973794 -1.288789
H -4.055722 -1.556155 -0.323413
H -5.156177 -0.379640 0.439316
H -1.715120 -0.052849 -1.393329
H -1.637428 -1.020993 0.097101
H -5.623524 1.749472 0.362944
H -4.295233 2.891333 0.632779
H -2.755176 -1.659336 1.892489
H -3.943262 -0.543776 2.594700
H -1.054670 2.011864 0.004154
H -0.847654 0.906743 1.413942
H -4.727093 3.913004 -1.681503
H -6.067457 2.759043 -1.928252
H -6.181493 4.000046 -0.648670
H -5.794962 -2.253139 2.149685
H -4.593510 -3.357566 1.422787
H -4.503921 -2.958786 3.161847
H 0.624389 2.714504 1.537228
H 4.979941 1.218149 -0.448224
H 2.727669 3.903415 2.143559
H 4.928068 3.180154 1.155720
H 2.571726 -1.274281 1.165712
H 2.538362 -1.926262 -3.124067
H 2.035070 -3.693304 1.543724
H 2.003873 -4.365750 -2.752171
H 1.747239 -5.251312 -0.409087


