%chk=000182968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182968

0 1
O 2.319713 -1.551904 -0.327135
O 1.104594 0.440310 -0.506326
O 5.366152 1.032593 -1.227243
O 3.166864 0.272141 -3.044378
O 5.578961 -1.191446 0.815014
O 1.365070 -1.447307 2.340646
O 2.543646 0.461211 2.447709
N -2.649386 -2.554952 0.736556
N -4.208037 -0.869362 0.598525
N -0.702078 2.430579 -0.774836
N -3.444957 2.009149 -0.160413
N -4.984438 -3.134027 1.317302
C 4.491333 -0.089707 -1.054812
C 3.147903 0.414844 -1.619473
C 4.416778 -0.457585 0.442588
C 1.964735 -0.479301 -1.196309
C 3.157247 -1.280175 0.797209
C 2.357878 -0.603485 1.917156
C -0.215273 0.079354 -0.286239
C -1.963866 -1.401631 0.348978
C -1.154232 1.184438 -0.388055
C -0.588305 -1.189570 0.072025
C -2.946652 -0.357547 0.279056
C -2.540936 0.966216 -0.087534
C -4.019032 -2.182783 0.872451
C -2.068494 -3.882669 0.951243
C -2.988729 3.213312 -0.525333
C -1.590888 3.416088 -0.842878
C -3.948468 4.349040 -0.601913
H 4.879118 -0.937943 -1.665930
H 2.970746 1.486746 -1.341960
H 4.501180 0.466065 1.082160
H 1.454933 -1.007061 -2.033877
H 3.430311 -2.319867 1.125227
H 6.231228 0.862554 -0.785614
H 3.759382 0.959714 -3.434738
H 5.668237 -2.021079 0.295076
H 0.137724 -1.997766 0.177680
H 0.778543 -1.029678 3.033808
H -2.746185 -4.500165 1.574125
H -1.907110 -4.404003 -0.009600
H -1.098305 -3.805923 1.475604
H -1.230539 4.404034 -1.150379
H -5.722712 -2.675742 1.858721
H -5.419161 -3.619291 0.530858
H -3.668904 5.157782 0.089138
H -3.993245 4.770347 -1.616651
H -4.974444 4.036553 -0.335429


%chk=000182968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182968

0 1
O 2.391502 -1.518620 0.074661
O 1.073429 0.444974 -0.472533
O 5.553952 0.335666 -1.776936
O 3.030893 0.045176 -3.053905
O 5.825782 -1.136607 0.825530
O 1.495090 -0.365365 2.543004
O 3.068656 1.300576 2.148170
N -2.780433 -2.633957 0.453466
N -4.343012 -0.943739 0.404779
N -0.758210 2.472387 -0.483855
N -3.552113 1.977815 -0.033674
N -5.127171 -3.187895 0.843159
C 4.494536 -0.443486 -1.132093
C 3.170789 0.173340 -1.604440
C 4.619582 -0.399774 0.400219
C 1.975302 -0.572730 -0.980400
C 3.320220 -0.929790 1.067574
C 2.637763 0.148237 1.937791
C -0.276695 0.088081 -0.246418
C -2.073223 -1.444670 0.189508
C -1.217692 1.185634 -0.256566
C -0.690120 -1.228830 -0.013437
C -3.057780 -0.413540 0.183132
C -2.639083 0.935790 -0.033355
C -4.135428 -2.265990 0.558196
C -2.215904 -3.971587 0.626388
C -3.079681 3.225806 -0.253182
C -1.675391 3.456451 -0.480119
C -4.065709 4.371039 -0.253549
H 4.539599 -1.502572 -1.472032
H 3.141364 1.237167 -1.292987
H 4.815994 0.633640 0.730189
H 1.476261 -1.212537 -1.728642
H 3.557887 -1.777393 1.734766
H 6.420421 0.086930 -1.364290
H 3.819335 0.485361 -3.464820
H 5.738734 -2.085323 0.544140
H 0.044934 -2.034651 0.055628
H 1.036755 0.354584 3.055637
H -2.799636 -4.528776 1.380398
H -2.202565 -4.544777 -0.320143
H -1.181572 -3.891006 0.999031
H -1.305646 4.472890 -0.661142
H -6.064896 -2.808033 0.951820
H -5.030898 -4.168582 0.594681
H -3.819193 5.113435 0.528834
H -4.060401 4.904768 -1.222597
H -5.078430 3.981585 -0.067786


