%chk=000225682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225682

0 1
O 1.109759 -2.739167 -0.309492
O 3.449049 -1.142568 -0.554223
O -4.916959 -1.448254 0.927581
O 1.867653 3.392065 0.800020
O -0.222520 3.227911 1.301047
N -1.445088 0.920648 1.237773
N 0.848374 2.728480 0.933026
C -2.677527 0.107764 1.290459
C -0.242641 0.454133 0.767586
C -3.407858 0.117952 -0.061634
C 0.889456 1.320656 0.644124
C -0.080518 -0.918514 0.411860
C 1.140583 -1.413644 -0.013416
C 2.282299 -0.531143 -0.112170
C 2.142968 0.793343 0.208025
C -4.645234 -0.756034 -0.026381
C -5.504741 -0.701827 -1.254638
C 2.330312 -3.393763 -0.756571
C 4.651949 -0.334963 -0.541259
H -3.336834 0.523224 2.089069
H -2.454296 -0.943163 1.597370
H -1.548503 1.931987 1.447837
H -3.675920 1.154248 -0.352306
H -2.728038 -0.233098 -0.868082
H -0.922384 -1.608196 0.489597
H 2.983721 1.494345 0.139064
H -4.934216 -0.861225 -2.177922
H -6.292931 -1.471120 -1.219311
H -6.013190 0.267614 -1.349572
H 2.679626 -2.935616 -1.688833
H 1.985119 -4.422993 -0.908847
H 3.095301 -3.329270 0.025026
H 4.558732 0.497330 -1.245545
H 5.405479 -1.055799 -0.882577
H 4.870920 0.012156 0.473014


%chk=000225682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225682

0 1
O 1.086245 -2.716674 -0.524588
O 3.485020 -1.078056 -0.687917
O -4.933300 -1.530489 0.889006
O 2.012353 3.384306 1.081524
O -0.208136 3.217334 1.593101
N -1.460114 0.942559 1.231153
N 0.919648 2.685496 1.151127
C -2.700871 0.164955 1.270013
C -0.249166 0.470562 0.779758
C -3.393271 0.073734 -0.112617
C 0.931364 1.304889 0.737038
C -0.083574 -0.878997 0.345600
C 1.140560 -1.391042 -0.109780
C 2.300050 -0.528624 -0.166341
C 2.171507 0.791299 0.266614
C -4.657131 -0.789246 -0.092833
C -5.564903 -0.697754 -1.312703
C 2.286883 -3.579397 -0.566499
C 4.645632 -0.185615 -0.773526
H -3.383760 0.651658 1.987264
H -2.522692 -0.852211 1.662334
H -1.436856 1.933726 1.526348
H -3.640849 1.083951 -0.493718
H -2.695647 -0.360117 -0.859425
H -0.920550 -1.580324 0.373778
H 3.008510 1.492803 0.249966
H -4.981225 -0.682390 -2.250955
H -6.277295 -1.537250 -1.323613
H -6.138681 0.249137 -1.272873
H 2.935349 -3.310283 -1.413494
H 1.879124 -4.594517 -0.688534
H 2.857932 -3.505376 0.374747
H 4.433468 0.680390 -1.429440
H 5.447951 -0.798277 -1.209679
H 4.948328 0.173338 0.228862


