%chk=000257074.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257074

0 1
O -0.800462 -1.716563 0.347048
O 2.524316 -2.581347 1.201042
O -0.329685 -3.826133 0.969589
N 1.268543 -0.729431 0.501851
C -0.843907 0.654883 0.075362
C -0.126030 -0.466615 0.269339
C -0.248477 2.036488 0.111455
C -2.299284 0.558204 -0.188739
C 2.340596 0.172697 0.144499
C 1.485253 -2.079848 0.879209
C -1.124329 3.021638 0.884457
C 0.079902 -2.727814 0.779808
C -3.154801 -0.048446 0.744536
C -2.825751 1.088656 -1.378016
C 2.373120 0.746134 -1.138012
C 3.348962 0.429379 1.085993
C -4.526911 -0.116959 0.490298
C -4.198418 1.012811 -1.625884
C 3.424954 1.603835 -1.464830
C 4.395298 1.286574 0.734623
C -5.050933 0.413581 -0.692724
C 4.432871 1.876535 -0.532657
H 0.761173 2.025466 0.574166
H -0.102033 2.396996 -0.929891
H -2.102754 3.161777 0.406559
H -1.314375 2.672668 1.906964
H -0.645209 4.004606 0.952218
H -2.744149 -0.476597 1.658098
H -2.165637 1.553100 -2.107253
H 1.595381 0.521046 -1.866663
H 3.324725 -0.044778 2.067869
H -5.188190 -0.590250 1.214799
H -4.605010 1.420002 -2.550171
H 3.463435 2.056913 -2.455758
H 5.187076 1.491992 1.455996
H -6.119763 0.356466 -0.889085
H 5.251501 2.544532 -0.797592


%chk=000257074-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257074

0 1
O -0.762406 -1.745781 0.594449
O 2.652630 -2.388819 1.456348
O -0.084371 -3.830378 1.429670
N 1.241861 -0.643213 0.616263
C -0.908758 0.632474 0.059449
C -0.154493 -0.472817 0.375568
C -0.295655 2.033345 0.053894
C -2.370492 0.530682 -0.240898
C 2.313285 0.222194 0.173353
C 1.533563 -1.936383 1.125446
C -0.975811 2.966724 1.090808
C 0.203725 -2.674826 1.110314
C -3.247717 -0.390860 0.403091
C -2.937811 1.424408 -1.197803
C 2.421206 0.553209 -1.199112
C 3.294574 0.640029 1.098931
C -4.622947 -0.421591 0.090764
C -4.310687 1.384918 -1.515933
C 3.504677 1.342680 -1.637012
C 4.380884 1.422773 0.648242
C -5.164562 0.460488 -0.871931
C 4.485588 1.780977 -0.715143
H 0.780419 1.995926 0.273135
H -0.381823 2.486178 -0.953774
H -2.054138 3.083066 0.889714
H -0.862630 2.565496 2.113997
H -0.507755 3.967377 1.060517
H -2.854741 -1.081724 1.150893
H -2.297820 2.145609 -1.717155
H 1.665756 0.195525 -1.906976
H 3.211960 0.347756 2.149559
H -5.273118 -1.138335 0.604476
H -4.712671 2.074710 -2.266404
H 3.589895 1.604440 -2.697015
H 5.144795 1.747455 1.362351
H -6.232688 0.430315 -1.113586
H 5.329273 2.388169 -1.059988


