%chk=000286620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286620

0 1
O 2.273033 0.871474 2.820150
O 7.154361 -0.167115 -1.099904
O -4.254782 -4.102942 0.046034
O 6.196119 -0.118370 0.990944
O -5.829768 -3.585264 -1.486574
N -3.535534 2.186027 0.429358
N 0.436859 1.947501 -1.518232
N -0.027694 1.746044 1.276030
N 3.541346 0.695746 0.971450
N 5.008303 0.460753 -0.949077
C -0.997085 2.133278 0.508864
C -2.303104 2.509962 1.184969
C -0.923841 2.260841 -1.004081
C 1.451328 1.525642 -0.689493
C 1.217213 1.434450 0.702991
C -3.839680 0.852795 0.105784
C 2.725452 1.200639 -1.245622
C 2.243481 1.016744 1.623017
C 3.737604 0.790428 -0.387825
C -4.053865 3.275874 -0.433603
C -4.871723 0.554534 -0.823442
C -3.175101 -0.217613 0.762073
C -5.230278 -0.764442 -1.065403
C -3.545882 -1.529014 0.509256
C -4.572664 -1.820383 -0.409087
C 6.132923 0.033561 -0.208827
C -4.985067 -3.196791 -0.707311
C 8.423198 -0.674763 -0.544724
C 8.282509 -2.132532 -0.178230
C -4.574962 -5.504502 -0.150325
H -2.365991 2.000668 2.184562
H -2.287692 3.602233 1.413589
H -1.193979 3.297461 -1.312605
H -1.659010 1.561694 -1.473752
H 0.566129 1.993009 -2.521164
H 2.885692 1.274261 -2.313085
H -5.160198 3.269545 -0.404540
H -3.733577 3.187184 -1.484105
H -3.730599 4.258690 -0.053157
H 4.307346 0.388910 1.605163
H -5.404542 1.346934 -1.339471
H -2.371605 -0.021497 1.472622
H -6.030524 -0.996177 -1.775889
H -3.037349 -2.353111 1.020695
H 5.108828 0.541885 -1.969630
H 8.703662 -0.036441 0.312088
H 9.086808 -0.495202 -1.412217
H 9.252264 -2.574368 0.086890
H 7.617787 -2.269565 0.690138
H 7.864463 -2.725505 -1.002713
H -3.862155 -6.006939 0.510890
H -5.612033 -5.686942 0.148393
H -4.424326 -5.774186 -1.200362


%chk=000286620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286620

0 1
O 1.896083 -0.159228 2.476606
O 7.417520 0.152209 -0.761954
O -4.481896 -4.180926 0.282410
O 6.086264 -0.547376 1.052948
O -6.282175 -3.596252 -1.080821
N -3.452185 2.180409 0.098142
N 0.706680 2.419435 -1.456816
N -0.049144 1.501605 1.068347
N 3.477240 0.319952 0.833435
N 5.237919 0.745666 -0.734051
C -0.948513 2.062549 0.298016
C -2.264495 2.520525 0.910253
C -0.739870 2.245785 -1.211629
C 1.640795 1.726262 -0.702485
C 1.218539 1.182230 0.542766
C -3.879939 0.851206 -0.015449
C 2.999631 1.612953 -1.141078
C 2.136597 0.412516 1.374902
C 3.890086 0.898935 -0.340848
C -4.230826 3.255985 -0.532065
C -5.042464 0.519317 -0.785784
C -3.176517 -0.217395 0.634338
C -5.471844 -0.810546 -0.899294
C -3.620443 -1.542123 0.513120
C -4.771865 -1.864689 -0.255478
C 6.229676 0.056519 -0.043820
C -5.272067 -3.246863 -0.413149
C 8.593095 -0.570575 -0.177910
C 8.590717 -2.042158 -0.594815
C -4.928243 -5.585258 0.174589
H -2.326453 2.090433 1.927929
H -2.249164 3.621267 1.027690
H -1.286869 3.133597 -1.577773
H -1.146395 1.360590 -1.753526
H 1.006173 2.892239 -2.308909
H 3.331242 2.046653 -2.088692
H -5.270503 3.290659 -0.148248
H -4.281074 3.141672 -1.634203
H -3.756703 4.225990 -0.312798
H 4.163016 -0.207584 1.396903
H -5.613385 1.301593 -1.293178
H -2.281726 -0.016178 1.228828
H -6.360940 -1.059396 -1.488884
H -3.074679 -2.345425 1.016052
H 5.523556 1.183547 -1.611641
H 8.556219 -0.460148 0.919717
H 9.454417 -0.020199 -0.587667
H 9.510485 -2.530927 -0.223825
H 7.725167 -2.572277 -0.163668
H 8.566574 -2.143372 -1.693411
H -4.210234 -6.156115 0.780818
H -5.954262 -5.695532 0.565498
H -4.910720 -5.916648 -0.877940


