%chk=000248417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248417

0 1
O 4.722685 1.838467 -0.285094
O 5.195304 0.139818 0.962512
N 4.542388 0.692448 0.094900
C -0.928573 0.351865 -0.398353
C -0.218322 -0.930656 0.130044
C 1.198156 -0.955266 -0.462374
C 2.015782 0.282606 0.026993
C -2.387397 0.444138 0.162825
C -3.142391 -0.848742 -0.285309
C -0.106792 1.625032 -0.096013
C 1.358706 1.541242 -0.557961
C -1.005521 -2.195072 -0.254223
C 3.421068 -0.068641 -0.582444
C 2.124866 -2.146512 -0.167544
C -2.453625 -2.118706 0.242900
C -3.113688 1.657904 -0.479764
C 3.549445 -1.603355 -0.429290
C -4.624687 -0.810332 0.128639
C 2.120493 0.386095 1.552578
C -2.374729 0.599621 1.692094
C -4.606099 1.709874 -0.125809
C -5.327085 0.405468 -0.489812
H -1.004763 0.260040 -1.510039
H -0.157852 -0.876181 1.245052
H 1.091547 -0.888220 -1.576504
H -3.106469 -0.881833 -1.404009
H -0.137022 1.840535 0.990401
H -0.585207 2.495166 -0.586022
H 1.407750 1.532356 -1.662601
H 1.908182 2.450615 -0.246394
H -0.510590 -3.087982 0.171167
H -0.992004 -2.336075 -1.351681
H 3.443885 0.222442 -1.662701
H 1.896622 -3.012670 -0.807632
H 2.017985 -2.491506 0.875167
H -3.009979 -3.015560 -0.087765
H -2.480503 -2.138980 1.348579
H -2.998882 1.617169 -1.579243
H -2.630564 2.599051 -0.158096
H 4.229218 -1.865990 0.405994
H 3.989506 -2.047759 -1.336802
H -4.713832 -0.779525 1.230973
H -5.130841 -1.739497 -0.191686
H 2.542090 1.346562 1.870543
H 1.131741 0.299765 2.023996
H 2.746542 -0.405942 1.982195
H -1.901216 1.538721 1.995810
H -3.392510 0.599684 2.098783
H -1.829758 -0.218392 2.175575
H -5.081633 2.560271 -0.649815
H -4.726880 1.913600 0.955928
H -6.378082 0.447873 -0.148614
H -5.368264 0.294770 -1.590454


%chk=000248417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248417

0 1
O 4.682685 1.907356 -0.699376
O 5.364434 0.263877 0.721331
N 4.579980 0.726228 -0.188602
C -0.933593 0.367395 -0.270318
C -0.216700 -0.940560 0.210450
C 1.214777 -0.964820 -0.366535
C 2.065251 0.280220 0.051827
C -2.428221 0.451936 0.231288
C -3.164776 -0.842709 -0.278665
C -0.088613 1.637907 0.037930
C 1.370243 1.549896 -0.486748
C -1.010930 -2.201619 -0.212096
C 3.401640 -0.116171 -0.673124
C 2.143559 -2.171632 -0.076829
C -2.489511 -2.136808 0.227343
C -3.137924 1.681070 -0.424261
C 3.574192 -1.643053 -0.438422
C -4.686835 -0.820634 0.002088
C 2.299946 0.378825 1.582380
C -2.492970 0.586844 1.778505
C -4.666602 1.723777 -0.180465
C -5.359063 0.417912 -0.634039
H -0.992664 0.288614 -1.383054
H -0.152555 -0.934531 1.318711
H 1.101731 -0.902590 -1.475114
H -3.048542 -0.834143 -1.388673
H -0.073029 1.829219 1.127893
H -0.567512 2.520986 -0.423628
H 1.357676 1.515258 -1.596368
H 1.931766 2.460287 -0.202964
H -0.526368 -3.106019 0.204906
H -0.967103 -2.296976 -1.318794
H 3.316547 0.142805 -1.743026
H 1.873939 -3.060705 -0.672046
H 2.087041 -2.463207 0.988726
H -3.037569 -3.015916 -0.167737
H -2.560489 -2.196496 1.332294
H -2.951875 1.651543 -1.519721
H -2.688442 2.621605 -0.050662
H 4.299779 -1.816301 0.373499
H 3.973581 -2.126887 -1.346275
H -4.876689 -0.832938 1.094724
H -5.141656 -1.747937 -0.401339
H 2.876814 1.289537 1.826483
H 1.345517 0.437948 2.129614
H 2.862745 -0.484011 1.977363
H -2.070193 1.554507 2.105203
H -3.532647 0.547002 2.145490
H -1.934745 -0.213197 2.295227
H -5.099410 2.589647 -0.719198
H -4.870852 1.894470 0.895516
H -6.437068 0.447385 -0.382031
H -5.290500 0.335608 -1.739080


