%chk=000198850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198850

0 1
O 3.932441 -2.159444 -0.443846
O -5.122304 0.816972 -1.598557
O -5.921079 1.791313 0.412975
O 2.640950 0.115188 1.866426
N -0.621929 -1.596927 -0.277487
N 2.066992 -1.130369 -1.263189
C 0.081419 -0.300200 -0.001734
C 0.366933 -2.725684 -0.348580
C 1.086109 -0.020792 -1.138781
C 1.392934 -2.444168 -1.466140
C -1.649602 -1.883466 0.779407
C -2.771191 -0.872678 0.723376
C 3.295610 -1.126907 -0.572544
C -3.348480 -0.558914 -0.536462
C -3.241022 -0.293952 1.903497
C 3.842980 0.206864 -0.167015
C -4.388373 0.339448 -0.519496
C -4.868367 0.925793 0.690168
C -4.314538 0.627772 1.913566
C 3.550173 0.784693 1.081097
C 4.742691 0.870356 -1.010126
C -6.112249 1.740999 -1.038663
C 4.131583 1.993429 1.494780
C 5.324218 2.079798 -0.618232
C 5.022139 2.633530 0.631116
H 0.611272 -0.288639 0.978198
H -0.681677 0.507912 0.025548
H -0.188033 -3.657230 -0.591617
H 0.899267 -2.900770 0.611948
H 0.547605 0.063058 -2.112064
H 1.603879 0.945844 -0.969609
H 2.158916 -3.254282 -1.495020
H 0.889726 -2.417792 -2.458343
H -1.214827 -1.936966 1.802491
H -2.081153 -2.892514 0.569626
H -2.964552 -1.004957 -1.453416
H -2.780977 -0.550019 2.856783
H -4.675181 1.069670 2.837127
H 4.991214 0.430508 -1.979162
H -7.109322 1.324988 -1.233477
H -5.904488 2.740951 -1.440874
H 3.898587 2.420419 2.464684
H 6.020456 2.586057 -1.283892
H 5.485651 3.573126 0.935247
H 2.568102 0.512883 2.770362


%chk=000198850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198850

0 1
O 4.115173 -1.966174 -1.148290
O -5.036831 1.080873 -1.723423
O -6.284714 1.652690 0.244158
O 2.993594 0.280863 1.814260
N -0.706025 -1.554347 -0.051844
N 2.004247 -1.032846 -0.855155
C -0.008999 -0.320301 0.396939
C 0.259103 -2.669521 -0.226888
C 1.068415 0.084558 -0.626872
C 1.337503 -2.288771 -1.258035
C -1.842508 -1.920311 0.825695
C -3.009839 -0.942054 0.730272
C 3.387973 -0.978242 -0.797320
C -3.385671 -0.422408 -0.544437
C -3.746973 -0.591782 1.887182
C 4.056759 0.309870 -0.360474
C -4.497070 0.417049 -0.588583
C -5.233863 0.754148 0.568607
C -4.880673 0.267523 1.827774
C 3.913140 0.883644 0.929948
C 5.011846 0.880813 -1.238714
C -6.296696 1.704922 -1.242094
C 4.676477 2.011355 1.316597
C 5.769085 2.013274 -0.871717
C 5.599047 2.579102 0.413004
H 0.479702 -0.464875 1.390416
H -0.752985 0.491172 0.487481
H -0.288589 -3.559754 -0.588978
H 0.760950 -2.939405 0.736200
H 0.572348 0.335893 -1.587390
H 1.616785 0.969661 -0.274604
H 2.110721 -3.069318 -1.341727
H 0.860955 -2.146372 -2.248957
H -1.534221 -2.016614 1.897933
H -2.183259 -2.926329 0.505896
H -2.799738 -0.674870 -1.431972
H -3.439960 -0.994301 2.859407
H -5.444736 0.539486 2.723464
H 5.162485 0.405338 -2.213422
H -7.156471 1.116966 -1.616364
H -6.321685 2.757604 -1.563044
H 4.552778 2.439270 2.320424
H 6.492368 2.441013 -1.572995
H 6.186299 3.452517 0.716439
H 3.056253 0.693894 2.711299


