%chk=000253551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253551

0 1
O -6.364313 0.442253 0.785710
O -5.926832 -0.659317 -1.146593
O 4.059139 2.891575 -0.541404
O 1.934781 3.002981 -0.902365
O 5.072551 -2.933348 1.176698
O 6.218735 -1.123040 0.867417
N 0.404324 0.946355 -0.591275
N -0.788456 0.245853 -0.581740
N 2.954679 2.386020 -0.578840
N 5.176030 -1.755598 0.875575
C -3.154375 0.071938 -0.933034
C -4.231205 0.772329 -0.101446
C 1.564043 0.282596 -0.232981
C 2.817343 0.980899 -0.224885
C 1.554673 -1.102536 0.136631
C 3.997641 0.295905 0.141870
C 3.947816 -1.044589 0.493495
C 2.709209 -1.750337 0.489594
C -1.877981 0.866410 -0.931796
C -5.559067 0.078488 -0.264365
C -7.719882 -0.112457 0.844836
C -7.668765 -1.547219 1.322795
H -3.502476 -0.061052 -1.985680
H -2.994134 -0.964369 -0.555266
H -3.946429 0.802634 0.974432
H -4.350106 1.837498 -0.399290
H 0.597645 -1.638056 0.130553
H 4.960627 0.840157 0.145648
H 2.707832 -2.812061 0.773330
H -1.971649 1.918493 -1.240460
H 0.448479 1.961600 -0.861447
H -8.182489 -0.010588 -0.152818
H -8.189310 0.575859 1.571773
H -7.083636 -1.646900 2.246119
H -7.204690 -2.202887 0.570191
H -8.673753 -1.939290 1.522015


%chk=000253551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253551

0 1
O -6.402982 0.398130 0.915455
O -5.999215 -0.453821 -1.221435
O 4.086556 2.983834 -0.624351
O 1.837177 3.004111 -0.975573
O 5.288499 -2.903114 1.188311
O 6.422387 -0.952736 0.821128
N 0.432029 0.842015 -0.590414
N -0.747704 0.098349 -0.557578
N 2.947787 2.386272 -0.634690
N 5.338071 -1.655063 0.849218
C -3.165134 0.009580 -0.908501
C -4.195091 0.683273 0.032685
C 1.624371 0.246013 -0.245397
C 2.872655 0.974784 -0.256817
C 1.665519 -1.134793 0.141245
C 4.086731 0.348941 0.102008
C 4.072296 -0.999599 0.472852
C 2.862650 -1.750242 0.494356
C -1.846507 0.730051 -0.897948
C -5.598610 0.132473 -0.189048
C -7.832180 -0.052553 0.832232
C -7.966039 -1.511161 1.275772
H -3.586345 0.007311 -1.933586
H -3.009306 -1.043978 -0.620645
H -3.919310 0.561504 1.094001
H -4.237242 1.775661 -0.155248
H 0.721129 -1.681582 0.146532
H 5.019738 0.918025 0.087914
H 2.897623 -2.802193 0.789335
H -1.848558 1.800239 -1.190269
H 0.486642 1.846127 -0.862502
H -8.182087 0.087735 -0.205536
H -8.357185 0.638798 1.510100
H -7.556719 -1.654678 2.290548
H -7.441579 -2.184444 0.577368
H -9.034069 -1.797069 1.291474


