%chk=000198599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198599

0 1
O 0.894255 2.630592 0.273473
N -1.460442 -0.449814 0.751959
N 1.567687 0.462917 0.381462
C 0.245134 -1.303393 -0.882023
C -0.456095 1.069298 -0.964564
C -1.694555 0.776062 -0.076916
C 1.471544 -0.978525 0.015085
C -0.067197 -0.134809 -1.826825
C -1.011484 -1.635072 -0.043882
C 0.713710 1.463797 -0.060559
C -2.979977 0.711194 -0.934194
C 2.782664 -1.409621 -0.689773
C -2.666474 -0.764025 1.576790
C 2.736142 0.816784 1.233947
C -4.200167 0.408711 -0.055649
C 4.006069 -1.104031 0.184087
C -3.980840 -0.857984 0.781250
C 4.048809 0.381209 0.564475
H 0.487914 -2.211256 -1.486327
H -0.681862 1.952698 -1.611892
H -1.799280 1.622366 0.658966
H 1.372767 -1.552185 0.977375
H -0.885693 -0.397560 -2.521633
H 0.807707 0.106001 -2.459487
H -1.802809 -2.025570 -0.720206
H -0.776749 -2.447560 0.678168
H -2.878982 -0.061348 -1.718506
H -3.125495 1.669295 -1.465623
H 2.877955 -0.884446 -1.659445
H 2.745531 -2.488825 -0.922389
H -2.744111 0.041269 2.342761
H -2.484055 -1.705050 2.135706
H 2.616963 0.326159 2.224572
H 2.733202 1.920029 1.411688
H -5.100520 0.294488 -0.687656
H -4.403992 1.268749 0.612225
H 4.931355 -1.383104 -0.354128
H 3.984014 -1.727639 1.098526
H -4.828452 -1.007847 1.474649
H -3.965245 -1.746860 0.123681
H 4.896840 0.581994 1.244622
H 4.227415 0.997113 -0.339091


%chk=000198599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198599

0 1
O 0.805881 2.695995 0.348850
N -1.474791 -0.490382 0.667716
N 1.614869 0.508917 0.271565
C 0.263044 -1.285090 -0.936269
C -0.459132 1.085798 -0.983203
C -1.710153 0.760616 -0.114176
C 1.474171 -0.947961 -0.019646
C -0.051605 -0.102169 -1.877003
C -1.015221 -1.640538 -0.139570
C 0.698274 1.494866 -0.064291
C -3.036063 0.718966 -0.929205
C 2.805849 -1.474961 -0.622005
C -2.616659 -0.787320 1.568390
C 2.741092 0.853970 1.169979
C -4.229994 0.414790 0.011244
C 4.024681 -1.138466 0.267359
C -3.980952 -0.877158 0.828684
C 4.080199 0.375433 0.574347
H 0.538334 -2.177066 -1.532997
H -0.694884 1.981946 -1.584797
H -1.808565 1.581278 0.627519
H 1.314888 -1.451731 0.960840
H -0.865875 -0.376185 -2.574182
H 0.827841 0.165409 -2.492129
H -1.778587 -2.013194 -0.871102
H -0.805790 -2.477876 0.555487
H -2.982130 -0.053663 -1.721772
H -3.186730 1.692361 -1.435650
H 2.942593 -1.031690 -1.629250
H 2.722412 -2.571530 -0.753987
H -2.671664 0.023763 2.323145
H -2.401383 -1.727855 2.110783
H 2.574616 0.371543 2.157440
H 2.715537 1.946254 1.314689
H -5.168176 0.331717 -0.570148
H -4.363157 1.265709 0.711989
H 4.959420 -1.472535 -0.221784
H 3.944328 -1.699104 1.222259
H -4.794728 -1.034524 1.563224
H -3.983235 -1.754361 0.150856
H 4.898636 0.597551 1.285760
H 4.286008 0.942677 -0.354260


