%chk=000241678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241678

0 1
O 3.794817 -1.318944 1.625907
O -2.727151 2.070441 -0.084114
O 5.564446 0.545054 -1.781329
O 7.453306 -0.187977 -0.828160
O -7.497085 -0.691757 0.749545
O -7.305165 -0.053214 -1.392552
N 4.131188 0.603747 0.441932
N -2.258210 -0.188219 -0.293081
C 1.866256 -0.308588 0.612839
C -0.863529 -0.186233 0.023523
C 1.184537 0.913420 0.688948
C 1.171404 -1.477663 0.260706
C -0.175968 0.982882 0.393744
C -0.185837 -1.424356 -0.041790
C 3.314720 -0.430434 0.943768
C 5.588514 0.509598 0.606662
C -3.100173 0.944030 -0.325519
C 6.330862 0.225499 -0.682410
C -4.509284 0.614424 -0.722157
C -5.382159 0.050172 0.111255
C -6.779507 -0.203154 -0.315480
H 1.712367 1.820437 0.992866
H 1.703488 -2.433288 0.231896
H -0.700762 1.943412 0.455347
H -0.710511 -2.336377 -0.318267
H 3.813331 1.202590 -0.319709
H -2.662441 -1.102315 -0.519197
H 5.840124 -0.299317 1.353240
H 5.980035 1.465054 1.039154
H -4.772294 0.926129 -1.743754
H -5.148358 -0.243855 1.141629
H 6.033891 0.364185 -2.640651
H -8.451153 -0.871683 0.519109


%chk=000241678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241678

0 1
O 3.679582 -1.768907 1.434769
O -2.586518 1.836146 -1.447066
O 5.720814 1.866006 -1.017836
O 7.722609 1.057349 -0.149737
O -7.317985 -0.657457 1.154556
O -7.519362 0.427709 -0.899754
N 4.196234 0.081861 0.151633
N -2.367425 -0.187742 -0.254568
C 1.828931 -0.560923 0.417260
C -0.963556 -0.265607 -0.053429
C 1.313279 0.604692 -0.205938
C 0.918836 -1.575106 0.813052
C -0.065399 0.764145 -0.445575
C -0.456949 -1.434594 0.580491
C 3.285419 -0.797410 0.708806
C 5.622881 -0.086994 0.417257
C -3.100276 0.816816 -0.890957
C 6.483905 0.969896 -0.248034
C -4.585550 0.633139 -0.886370
C -5.314515 0.046484 0.105433
C -6.794890 -0.012092 0.022949
H 1.974168 1.428684 -0.499908
H 1.325000 -2.463070 1.307466
H -0.454556 1.662407 -0.926905
H -1.145499 -2.231056 0.890931
H 3.922852 0.834008 -0.481397
H -2.903024 -0.995632 0.073544
H 5.977503 -1.081211 0.078857
H 5.827175 -0.066107 1.505478
H -5.106573 1.101446 -1.730613
H -4.869040 -0.372874 1.014735
H 6.316233 2.539583 -1.443042
H -8.310606 -0.689888 1.087813


