%chk=000233312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233312

0 1
O 2.562756 0.243306 1.799226
O 3.167315 -2.579013 0.388921
O 3.054054 2.033775 0.107905
O 4.915518 -1.174975 0.747498
O 3.361399 0.672168 -1.690982
O 0.154158 0.958946 0.968298
N 1.337101 -0.789803 0.036116
N -1.028979 -0.782262 -0.080307
N -2.232500 -0.186498 0.201820
C 2.636144 -0.254857 0.495799
C 3.743328 -1.351786 0.569353
C 3.067682 0.840726 -0.537285
C 0.138993 -0.102633 0.380141
C 4.049791 -3.756527 0.382660
C 3.316051 3.252851 -0.674043
C 4.777645 -3.839847 -0.938824
C 2.063498 3.635387 -1.428284
C -4.625258 -0.102561 0.066663
C -3.327319 -0.729984 -0.256613
C -5.794058 -0.661358 -0.482770
C -4.719506 1.024446 0.900383
C -7.038200 -0.095569 -0.198438
C -5.968965 1.583766 1.179655
C -7.128608 1.026708 0.632518
H 1.328305 -1.777025 -0.240994
H 1.990406 1.084484 1.836075
H 4.731748 -3.680163 1.248645
H 3.306716 -4.561006 0.533303
H 3.575360 3.955169 0.140302
H 4.183523 3.067178 -1.330930
H 4.090693 -3.763234 -1.792015
H 5.512306 -3.025714 -1.046674
H 5.325667 -4.785526 -1.036558
H 1.873111 2.956046 -2.271642
H 1.175754 3.594391 -0.778274
H 2.130690 4.652758 -1.832078
H -0.957640 -1.611424 -0.679665
H -3.388039 -1.635914 -0.878504
H -5.734811 -1.533742 -1.130432
H -3.813601 1.462283 1.328696
H -7.941076 -0.529624 -0.625098
H -6.036681 2.457518 1.826812
H -8.100572 1.464843 0.852222


%chk=000233312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233312

0 1
O 2.887389 0.110551 1.889095
O 3.260673 -2.627869 0.368514
O 3.290886 2.033792 0.213326
O 4.927457 -1.064641 -0.117364
O 2.707614 0.846780 -1.718840
O 0.294490 1.219466 0.249652
N 1.342996 -0.861402 0.318771
N -0.990499 -0.767495 0.268456
N -2.192440 -0.097545 0.195691
C 2.658159 -0.278772 0.498379
C 3.751836 -1.338769 0.186221
C 2.852561 0.922815 -0.486419
C 0.216528 -0.036881 0.280326
C 4.242741 -3.750040 0.185586
C 3.383984 3.324100 -0.547374
C 4.344266 -4.141316 -1.289744
C 2.041369 4.054236 -0.489605
C -4.615733 -0.182542 0.112359
C -3.294219 -0.818475 0.187761
C -5.780537 -0.998458 0.109164
C -4.761183 1.233219 0.041700
C -7.064232 -0.416091 0.037179
C -6.043401 1.809199 -0.030286
C -7.200600 0.989357 -0.033041
H 1.294548 -1.880045 0.390535
H 3.085518 1.088520 1.886764
H 5.215421 -3.416967 0.586753
H 3.828156 -4.556949 0.810059
H 4.192421 3.870925 -0.036894
H 3.680764 3.080614 -1.582316
H 3.357811 -4.421344 -1.697468
H 4.756525 -3.312532 -1.888464
H 5.019794 -5.010517 -1.393636
H 1.244395 3.445180 -0.945097
H 1.751822 4.271088 0.552317
H 2.121920 5.010378 -1.039632
H -0.962838 -1.798006 0.314024
H -3.277584 -1.927763 0.236409
H -5.677930 -2.090024 0.163135
H -3.858724 1.852831 0.044925
H -7.954434 -1.054780 0.035562
H -6.147574 2.898624 -0.084476
H -8.196220 1.443254 -0.089408


