%chk=000225342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225342

0 1
O 2.779687 -0.215402 -0.311602
O 3.222579 0.565405 1.815982
N 4.918647 0.358310 0.221781
C -2.903544 -0.269335 -0.396892
C -3.475955 1.139602 -0.662371
C -3.503549 -0.865914 0.894355
C -5.008039 1.099482 -0.738471
C -5.035568 -0.903277 0.816437
C -5.614330 0.490643 0.534097
C -1.392607 -0.231421 -0.320561
C -0.632290 -0.966601 -1.246812
C -0.734748 0.524451 0.661734
C 0.760723 -0.952139 -1.199822
C 0.660132 0.560281 0.731023
C 1.382040 -0.180049 -0.205884
C 3.612830 0.241841 0.716755
C 5.997201 0.365347 1.243165
C 5.270451 -0.286313 -1.065921
H -3.210662 -0.927219 -1.249985
H -3.056678 1.542497 -1.602608
H -3.159000 1.836307 0.136262
H -3.187571 -0.270800 1.771713
H -3.103755 -1.883767 1.056917
H -5.325745 0.513415 -1.621956
H -5.402193 2.121347 -0.891878
H -5.449012 -1.298104 1.763184
H -5.355115 -1.608598 0.025643
H -5.418453 1.157036 1.395966
H -6.713863 0.429946 0.436460
H -1.132333 -1.558847 -2.012889
H -1.315791 1.095330 1.386863
H 1.361416 -1.516492 -1.907915
H 1.167819 1.140176 1.505719
H 6.834348 0.979989 0.870669
H 6.371024 -0.642827 1.481688
H 5.630375 0.829348 2.180251
H 4.460802 -0.111430 -1.801926
H 5.421853 -1.374050 -0.977958
H 6.191473 0.172531 -1.462216


%chk=000225342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225342

0 1
O 2.833596 -0.191065 -0.424608
O 3.271578 0.078424 1.893078
N 4.998547 0.059280 0.302695
C -2.953931 -0.291564 -0.361723
C -3.549509 1.094394 -0.749983
C -3.564837 -0.774775 0.985900
C -5.095058 1.059787 -0.801877
C -5.110729 -0.809232 0.933674
C -5.694356 0.568178 0.536924
C -1.427643 -0.267971 -0.333846
C -0.668991 -1.057023 -1.235274
C -0.719353 0.550011 0.585612
C 0.742291 -1.036063 -1.221474
C 0.690527 0.591441 0.616000
C 1.412566 -0.210882 -0.295627
C 3.680318 -0.004938 0.706903
C 6.039134 0.217607 1.330640
C 5.453025 -0.040456 -1.092568
H -3.270364 -1.015214 -1.143772
H -3.135881 1.415211 -1.725675
H -3.225164 1.848977 -0.003803
H -3.241760 -0.090569 1.797216
H -3.163082 -1.775414 1.236851
H -5.418284 0.378335 -1.616477
H -5.486979 2.064909 -1.052338
H -5.514120 -1.130141 1.913891
H -5.434051 -1.568552 0.190976
H -5.461055 1.305347 1.333365
H -6.798024 0.511075 0.465649
H -1.188234 -1.698385 -1.957827
H -1.274042 1.171675 1.298517
H 1.328840 -1.644893 -1.916451
H 1.216886 1.212782 1.342673
H 6.619316 1.143653 1.153846
H 6.734964 -0.643277 1.313086
H 5.559228 0.273947 2.318703
H 4.588296 -0.111725 -1.763581
H 6.091063 -0.935899 -1.227937
H 6.047870 0.853708 -1.362360


