%chk=000225226.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225226

0 1
O -3.076311 1.171327 -2.289468
O -4.344444 -2.363531 0.405628
O 6.193197 -2.214572 -1.070255
O 6.596214 -0.037106 -1.383484
N -0.889065 1.766277 -0.181597
N -2.569507 -1.102105 1.149142
N -0.675775 0.457030 1.687650
N -3.712725 -0.593933 -0.948794
C 2.199942 2.217301 0.567685
C 0.955285 2.385946 1.451354
C 2.775425 0.797864 0.654527
C -0.183178 1.541406 0.999580
C -1.882870 0.773168 -0.257854
C -1.729248 -0.019807 0.911123
C 4.029199 0.656075 -0.214450
C -2.885903 0.540881 -1.269525
C 4.595804 -0.765319 -0.138617
C -3.602271 -1.420620 0.209030
C -2.410343 -1.920302 2.375534
C -4.800555 -0.964513 -1.896524
C 5.870044 -0.881571 -0.917385
H 1.962904 2.467838 -0.484379
H 2.966499 2.954136 0.884986
H 0.651426 3.454500 1.486313
H 1.203515 2.119144 2.507958
H 2.007917 0.059220 0.345369
H 3.009426 0.550338 1.709249
H 4.805251 1.384660 0.101507
H 3.799423 0.911262 -1.269055
H -0.747842 2.473172 -0.882419
H 4.788968 -1.061034 0.917451
H 3.856525 -1.510948 -0.508803
H -3.164286 -2.731038 2.392712
H -2.540184 -1.291275 3.274330
H -1.401321 -2.368350 2.407160
H -4.795569 -0.276692 -2.763424
H -5.783061 -0.903313 -1.397316
H -4.659767 -1.997712 -2.258535
H 7.038662 -2.351004 -1.574304


%chk=000225226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225226

0 1
O -2.771844 0.975546 -2.457501
O -4.554970 -2.278899 0.466269
O 6.382946 -2.142604 -1.202673
O 6.487083 0.111440 -1.749464
N -0.785416 1.600846 -0.150675
N -2.743673 -1.006625 1.248688
N -0.834703 0.477149 1.823743
N -3.652246 -0.658929 -0.968620
C 2.210160 2.188669 0.703655
C 0.940774 2.286264 1.595739
C 2.798831 0.762711 0.630418
C -0.212346 1.458503 1.107558
C -1.825044 0.670879 -0.253955
C -1.829889 -0.000224 0.976409
C 4.070333 0.694732 -0.242535
C -2.738408 0.394832 -1.328407
C 4.647663 -0.731385 -0.312756
C -3.699416 -1.370354 0.267018
C -2.735392 -1.697853 2.552329
C -4.664199 -1.064389 -1.971178
C 5.905443 -0.822025 -1.154998
H 1.983856 2.549341 -0.321410
H 2.971610 2.882081 1.111402
H 0.631747 3.347698 1.677207
H 1.171561 1.937760 2.617185
H 2.033250 0.066024 0.231854
H 3.029753 0.413031 1.657770
H 4.840565 1.382846 0.155767
H 3.845330 1.049516 -1.266829
H -0.518456 2.255659 -0.885538
H 4.889878 -1.114817 0.698068
H 3.908270 -1.443050 -0.729632
H -3.549367 -2.437020 2.541190
H -2.891058 -0.970683 3.366706
H -1.766329 -2.200711 2.709005
H -4.503778 -0.444779 -2.865652
H -5.678964 -0.908607 -1.569926
H -4.549438 -2.133412 -2.213379
H 7.207286 -2.172362 -1.760751


