%chk=000250326.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250326

0 1
O 0.010032 5.326314 -0.705582
O 0.011322 5.601025 1.652236
O 1.871973 -0.941452 -2.130250
O -1.869553 -0.945121 -2.129645
O 4.293737 -2.346718 -2.377154
O 2.678262 -1.714366 1.929840
O -4.295168 -2.343810 -2.376856
O -2.690073 -1.695877 1.931695
N 1.213083 -0.387247 0.009403
N -1.215919 -0.381663 0.009231
N 3.123210 -1.807295 -0.377235
N -3.128737 -1.798417 -0.376173
C 0.000268 0.352668 -0.432191
C 0.003190 1.733361 0.206225
C 0.005124 2.844948 -0.677680
C 0.007767 4.085271 -0.084936
C 0.003969 1.896935 1.591064
C 0.008542 4.251726 1.334898
C 0.006692 3.176929 2.194120
C 2.021467 -1.026002 -0.934719
C -2.023070 -1.023070 -0.934184
C 0.012353 6.319504 0.372509
C 4.173352 -2.433371 -1.196559
C 3.356092 -2.112219 1.018416
C -4.178420 -2.425230 -1.195524
C -3.366521 -2.096009 1.020247
C 5.041600 -3.170800 -0.193502
C 4.583757 -2.989049 1.048148
C -5.051757 -3.155251 -0.191472
C -4.596916 -2.968977 1.050611
H 0.000593 0.412382 -1.570060
H 0.004606 2.722286 -1.759725
H 1.376082 -0.489424 1.020184
H -1.382117 -0.478700 1.020018
H 0.002524 1.027759 2.250162
H 0.007284 3.296014 3.274174
H 0.949726 6.887553 0.306371
H -0.922789 6.891286 0.306960
H 5.894407 -3.737239 -0.542354
H 4.959149 -3.364990 1.989953
H -5.905283 -3.720765 -0.540074
H -4.976139 -3.339298 1.993111


%chk=000250326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250326

0 1
O 0.643553 5.252084 -0.637075
O 0.141888 5.584186 1.687311
O 2.151665 0.110902 -2.000708
O -1.279669 -2.027736 -1.709989
O 4.759146 -1.085649 -2.269095
O 2.200331 -2.403731 1.492396
O -3.383970 -3.998777 -1.665546
O -3.585978 -0.605419 1.632379
N 0.988715 -0.536712 -0.084014
N -1.414599 -0.436736 -0.002010
N 3.125256 -1.471166 -0.518166
N -3.094861 -2.105106 -0.177536
C -0.204180 0.276492 -0.426729
C -0.154677 1.671718 0.200577
C 0.234766 2.764167 -0.625654
C 0.311895 4.019926 -0.022708
C -0.442929 1.871915 1.574628
C 0.016201 4.216374 1.343667
C -0.366580 3.158760 2.171584
C 2.057486 -0.561599 -0.945977
C -1.851902 -1.535704 -0.712701
C 0.697823 6.241684 0.471580
C 4.377111 -1.664511 -1.236856
C 3.116572 -2.323617 0.629094
C -3.754539 -3.289154 -0.714255
C -3.861518 -1.612641 0.924971
C 5.133193 -2.712230 -0.460260
C 4.401771 -3.091567 0.620070
C -4.986437 -3.485648 0.131333
C -5.045257 -2.514859 1.080452
H -0.193557 0.363215 -1.528238
H 0.483360 2.615989 -1.679901
H 0.998556 -1.112322 0.770804
H -1.995054 -0.067816 0.765393
H -0.718590 1.023376 2.211991
H -0.595329 3.316097 3.228242
H 1.752515 6.513954 0.661236
H 0.067379 7.106313 0.212143
H 6.115680 -3.053479 -0.786358
H 4.634192 -3.819226 1.397189
H -5.672466 -4.311206 -0.058268
H -5.789262 -2.346937 1.858705


